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

C26H34N4O3 — CID 122665130

IUPAC1-(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
SMILESC=C1/C=C/C(CO)=C\C[C@@H](NC(=O)Nc2c(C)c(C)nn2-c2ccccc2)[C@H](O)CC1(C)C
InChIInChI=1S/C26H34N4O3/c1-17-11-12-20(16-31)13-14-22(23(32)15-26(17,4)5)27-25(33)28-24-18(2)19(3)29-30(24)21-9-7-6-8-10-21/h6-13,22-23,31-32H,1,14-16H2,2-5H3,(H2,27,28,33)/b12-11-,20-13+/t22-,23-/m1/s1
InChIKeyXNFXFOMDJBFZQH-RYPVXWPUSA-N
MW450.58 g/mol
LogP4.19
Rot. Bonds4

About 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

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 (PubChem CID 122665130) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID122665130
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC Name1-(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
SMILESC=C1/C=C/C(CO)=C\C[C@@H](NC(=O)Nc2c(C)c(C)nn2-c2ccccc2)[C@H](O)CC1(C)C
InChIInChI=1S/C26H34N4O3/c1-17-11-12-20(16-31)13-14-22(23(32)15-26(17,4)5)27-25(33)28-24-18(2)19(3)29-30(24)21-9-7-6-8-10-21/h6-13,22-23,31-32H,1,14-16H2,2-5H3,(H2,27,28,33)/b12-11-,20-13+/t22-,23-/m1/s1
InChIKeyXNFXFOMDJBFZQH-RYPVXWPUSA-N
XLogP4.19
TPSA99.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 54.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
(4,5-dimethyl-2-phenylpyrazol-3-yl)urea;7-(hydroxymethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol
CID 144629235
1-[(3S,4R)-4-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-(4,5-dimethyl-2-phenylpyrazol-3-yl)urea
CID 118128502
1-[3-[2-(dimethylamino)ethoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-(2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)urea
CID 123797032
1-(4,5-dimethyl-2-phenylpyrazol-3-yl)-3-[(3S,4R)-4-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea
CID 71041078
1-[(3S,4R)-4-(3,4-difluorophenyl)-1-(2H-pyrrol-4-yl)pyrrolidin-3-yl]-3-(4,5-dimethyl-2-phenylpyrazol-3-yl)urea
CID 149021480
1-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-(4,5-dimethyl-2-phenylpyrazol-3-yl)urea
CID 135226429
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
1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(2-phenyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)urea
CID 90169144
1-[(6S,7R)-2-hydroxy-6-phenylspiro[3.4]octan-7-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
CID 130355241
1-(4,5-dimethyl-2-phenylpyrazol-3-yl)-3-[1-(2-methoxyethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]urea
CID 123158042
1-(2-hydroxy-3,3-dimethyl-1,2-dihydroinden-1-yl)-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]urea
CID 123327662

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C1/C=C/C(CO)=C\C[C@@H](NC(=O)Nc2c(C)c(C)nn2-c2ccccc2)[C@H](O)CC1(C)C.
What is the InChIKey of 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?
The InChIKey is XNFXFOMDJBFZQH-RYPVXWPUSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-17-11-12-20(16-31)13-14-22(23(32)15-26(17,4)5)27-25(33)28-24-18(2)19(3)29-30(24)21-9-7-6-8-10-21/h6-13,22-23,31-32H,1,14-16H2,2-5H3,(H2,27,28,33)/b12-11-,20-13+/t22-,23-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 450.58 g/mol, XLogP of 4.19, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 122665130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).