1-[(1R,3Z,5Z,10R)-10-hydroxy-8,8-dimethyl-7-methylidenecyclodeca-3,5-dien-1-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea

C28H34N6O2 — CID 90169142

IUPAC1-[(1R,3Z,5Z,10R)-10-hydroxy-8,8-dimethyl-7-methylidenecyclodeca-3,5-dien-1-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
SMILESC=C1/C=C\C=C/C[C@@H](NC(=O)Nc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)[C@H](O)CC1(C)C
InChIInChI=1S/C28H34N6O2/c1-19-12-8-6-11-15-23(24(35)16-28(19,3)4)30-27(36)31-26-20(2)25(21-17-29-33(5)18-21)32-34(26)22-13-9-7-10-14-22/h6-14,17-18,23-24,35H,1,15-16H2,2-5H3,(H2,30,31,36)/b11-6-,12-8-/t23-,24-/m1/s1
InChIKeyAFRHAAZZYYWLDI-XVPDVNIBSA-N
MW486.62 g/mol
LogP4.92
Rot. Bonds4

About 1-[(1R,3Z,5Z,10R)-10-hydroxy-8,8-dimethyl-7-methylidenecyclodeca-3,5-dien-1-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea

1-[(1R,3Z,5Z,10R)-10-hydroxy-8,8-dimethyl-7-methylidenecyclodeca-3,5-dien-1-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea (PubChem CID 90169142) has the molecular formula C28H34N6O2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 1-[(1R,3Z,5Z,10R)-10-hydroxy-8,8-dimethyl-7-methylidenecyclodeca-3,5-dien-1-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea.

Molecular Properties

Compound Name1-[(1R,3Z,5Z,10R)-10-hydroxy-8,8-dimethyl-7-methylidenecyclodeca-3,5-dien-1-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
PubChem CID90169142
Molecular FormulaC28H34N6O2
Molecular Weight486.62 g/mol
Exact Mass486.27
IUPAC Name1-[(1R,3Z,5Z,10R)-10-hydroxy-8,8-dimethyl-7-methylidenecyclodeca-3,5-dien-1-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
SMILESC=C1/C=C\C=C/C[C@@H](NC(=O)Nc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)[C@H](O)CC1(C)C
InChIInChI=1S/C28H34N6O2/c1-19-12-8-6-11-15-23(24(35)16-28(19,3)4)30-27(36)31-26-20(2)25(21-17-29-33(5)18-21)32-34(26)22-13-9-7-10-14-22/h6-14,17-18,23-24,35H,1,15-16H2,2-5H3,(H2,30,31,36)/b11-6-,12-8-/t23-,24-/m1/s1
InChIKeyAFRHAAZZYYWLDI-XVPDVNIBSA-N
XLogP4.92
TPSA97.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[(1R,3Z,5Z,10R)-10-hydroxy-8,8-dimethyl-7-methylidenecyclodeca-3,5-dien-1-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea with MolForge

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Launch Full Analysis

Related Compounds

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CID 130355241
1-[(1R,2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
CID 90169258
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CID 130355187
1-(4,4a-dihydronaphthalen-1-yl)-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
CID 90169299
1-[(3E,5Z)-4-bromo-8,8-dimethyl-2-methylidenecyclodeca-3,5-dien-1-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
CID 90169136
1-[(3E,5Z)-4-bromo-2-methylidenecyclodeca-3,5-dien-1-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
CID 90169133
1-(4,5-dimethyl-2-phenylpyrazol-3-yl)-3-[(1R,3E,5Z,10R)-10-hydroxy-4-(hydroxymethyl)-8,8-dimethyl-7-methylidenecyclodeca-3,5-dien-1-yl]urea
CID 122665130
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1-[(1R,2R)-5-fluoro-2-hydroxyspiro[1,2-dihydroindene-3,1'-cyclopropane]-1-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
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1-(5-fluoro-2-hydroxyspiro[1,2-dihydroindene-3,1'-cyclopropane]-1-yl)-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
CID 122658035
1-[(2R,3S)-5-(2-methoxyethyl)-2-phenyloxolan-3-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
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phenyl N-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3Z,5Z,10R)-10-hydroxy-8,8-dimethyl-7-methylidenecyclodeca-3,5-dien-1-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea?
The IUPAC name of 1-[(1R,3Z,5Z,10R)-10-hydroxy-8,8-dimethyl-7-methylidenecyclodeca-3,5-dien-1-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea (CID 90169142) is 1-[(1R,3Z,5Z,10R)-10-hydroxy-8,8-dimethyl-7-methylidenecyclodeca-3,5-dien-1-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea.
What is the SMILES notation for 1-[(1R,3Z,5Z,10R)-10-hydroxy-8,8-dimethyl-7-methylidenecyclodeca-3,5-dien-1-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea?
The canonical SMILES for 1-[(1R,3Z,5Z,10R)-10-hydroxy-8,8-dimethyl-7-methylidenecyclodeca-3,5-dien-1-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea is C=C1/C=C\C=C/C[C@@H](NC(=O)Nc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)[C@H](O)CC1(C)C.
What is the InChIKey of 1-[(1R,3Z,5Z,10R)-10-hydroxy-8,8-dimethyl-7-methylidenecyclodeca-3,5-dien-1-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea?
The InChIKey is AFRHAAZZYYWLDI-XVPDVNIBSA-N. The full InChI is InChI=1S/C28H34N6O2/c1-19-12-8-6-11-15-23(24(35)16-28(19,3)4)30-27(36)31-26-20(2)25(21-17-29-33(5)18-21)32-34(26)22-13-9-7-10-14-22/h6-14,17-18,23-24,35H,1,15-16H2,2-5H3,(H2,30,31,36)/b11-6-,12-8-/t23-,24-/m1/s1.
What are the key properties of 1-[(1R,3Z,5Z,10R)-10-hydroxy-8,8-dimethyl-7-methylidenecyclodeca-3,5-dien-1-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea?
1-[(1R,3Z,5Z,10R)-10-hydroxy-8,8-dimethyl-7-methylidenecyclodeca-3,5-dien-1-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea has a molecular weight of 486.62 g/mol, XLogP of 4.92, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3Z,5Z,10R)-10-hydroxy-8,8-dimethyl-7-methylidenecyclodeca-3,5-dien-1-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea is sourced from PubChem (CID 90169142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).