1-cyclopropyl-3-(3-methoxy-2,2-dimethylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]urea

C15H26N4O2 — CID 122565755

IUPAC1-cyclopropyl-3-(3-methoxy-2,2-dimethylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCOCC(C)(C)CNC(=O)N(Cc1cnn(C)c1)C1CC1
InChIInChI=1S/C15H26N4O2/c1-15(2,11-21-4)10-16-14(20)19(13-5-6-13)9-12-7-17-18(3)8-12/h7-8,13H,5-6,9-11H2,1-4H3,(H,16,20)
InChIKeyHBOZMXCEJACDRH-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.77
Rot. Bonds7

About 1-cyclopropyl-3-(3-methoxy-2,2-dimethylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]urea

1-cyclopropyl-3-(3-methoxy-2,2-dimethylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]urea (PubChem CID 122565755) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3-methoxy-2,2-dimethylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(3-methoxy-2,2-dimethylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]urea
PubChem CID122565755
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1-cyclopropyl-3-(3-methoxy-2,2-dimethylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCOCC(C)(C)CNC(=O)N(Cc1cnn(C)c1)C1CC1
InChIInChI=1S/C15H26N4O2/c1-15(2,11-21-4)10-16-14(20)19(13-5-6-13)9-12-7-17-18(3)8-12/h7-8,13H,5-6,9-11H2,1-4H3,(H,16,20)
InChIKeyHBOZMXCEJACDRH-UHFFFAOYSA-N
XLogP1.77
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-3-[2-(dimethylsulfamoyl)ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 122566915
N-[5-[[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]-2-methoxyphenyl]acetamide
CID 72872136
3-(4-chloro-2-ethylphenyl)-1-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 72929949
N-cyclopropyl-2-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 119060916
3-chloro-N-cyclopropyl-4-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 56702352
N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(1,3-oxazol-5-yl)benzamide
CID 166280015
1-(cyclopropanecarbonyl)-N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 72865138
N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 91762125
N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(6-methylpyridazin-3-yl)benzamide
CID 166280018
N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 87024531
N-cyclopropyl-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 78851238
1-methoxy-2-methyl-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 62534696

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(3-methoxy-2,2-dimethylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-cyclopropyl-3-(3-methoxy-2,2-dimethylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]urea (CID 122565755) is 1-cyclopropyl-3-(3-methoxy-2,2-dimethylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-(3-methoxy-2,2-dimethylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-(3-methoxy-2,2-dimethylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]urea is COCC(C)(C)CNC(=O)N(Cc1cnn(C)c1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(3-methoxy-2,2-dimethylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]urea?
The InChIKey is HBOZMXCEJACDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-15(2,11-21-4)10-16-14(20)19(13-5-6-13)9-12-7-17-18(3)8-12/h7-8,13H,5-6,9-11H2,1-4H3,(H,16,20).
What are the key properties of 1-cyclopropyl-3-(3-methoxy-2,2-dimethylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]urea?
1-cyclopropyl-3-(3-methoxy-2,2-dimethylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]urea has a molecular weight of 294.40 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3-methoxy-2,2-dimethylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 122565755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).