1-cyclohexyl-1-(cyclopropylmethyl)-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea

C19H32N4O — CID 95293835

IUPAC1-cyclohexyl-1-(cyclopropylmethyl)-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
SMILESCc1nn(C)c(C)c1[C@H](C)NC(=O)N(CC1CC1)C1CCCCC1
InChIInChI=1S/C19H32N4O/c1-13(18-14(2)21-22(4)15(18)3)20-19(24)23(12-16-10-11-16)17-8-6-5-7-9-17/h13,16-17H,5-12H2,1-4H3,(H,20,24)/t13-/m0/s1
InChIKeyODIVEYPRNKADDG-ZDUSSCGKSA-N
MW332.49 g/mol
LogP3.85
Rot. Bonds5

About 1-cyclohexyl-1-(cyclopropylmethyl)-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea

1-cyclohexyl-1-(cyclopropylmethyl)-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea (PubChem CID 95293835) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-cyclohexyl-1-(cyclopropylmethyl)-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-1-(cyclopropylmethyl)-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
PubChem CID95293835
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name1-cyclohexyl-1-(cyclopropylmethyl)-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
SMILESCc1nn(C)c(C)c1[C@H](C)NC(=O)N(CC1CC1)C1CCCCC1
InChIInChI=1S/C19H32N4O/c1-13(18-14(2)21-22(4)15(18)3)20-19(24)23(12-16-10-11-16)17-8-6-5-7-9-17/h13,16-17H,5-12H2,1-4H3,(H,20,24)/t13-/m0/s1
InChIKeyODIVEYPRNKADDG-ZDUSSCGKSA-N
XLogP3.85
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylpiperidin-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 166224937
(1R)-1-cycloheptyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine
CID 81391838
1-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 98756215
3-cyclopentyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 103776530
(2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid
CID 64522000
3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066726
1-[(1R)-1-(1-adamantyl)ethyl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 95032727
(2S)-N-[[(1S,3R)-3-methylcyclohexyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 100836629
1-(cyclohexylmethyl)-1-cyclopropyl-3-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]urea
CID 55912417
1-(1-phenylethyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 60595650
5-ethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 91788462
4-amino-N-(cyclohexylmethyl)-N-cyclopropyl-1,3-dimethylpyrazole-5-carboxamide
CID 66125149

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-(cyclopropylmethyl)-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-cyclohexyl-1-(cyclopropylmethyl)-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea (CID 95293835) is 1-cyclohexyl-1-(cyclopropylmethyl)-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-1-(cyclopropylmethyl)-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-1-(cyclopropylmethyl)-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea is Cc1nn(C)c(C)c1[C@H](C)NC(=O)N(CC1CC1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-(cyclopropylmethyl)-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The InChIKey is ODIVEYPRNKADDG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H32N4O/c1-13(18-14(2)21-22(4)15(18)3)20-19(24)23(12-16-10-11-16)17-8-6-5-7-9-17/h13,16-17H,5-12H2,1-4H3,(H,20,24)/t13-/m0/s1.
What are the key properties of 1-cyclohexyl-1-(cyclopropylmethyl)-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
1-cyclohexyl-1-(cyclopropylmethyl)-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea has a molecular weight of 332.49 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-(cyclopropylmethyl)-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 95293835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).