1-[(1R,2S)-2-cyclohexylcyclopropyl]-3-[(5-methyl-1H-pyrazol-4-yl)methyl]urea

C15H24N4O — CID 139010986

IUPAC1-[(1R,2S)-2-cyclohexylcyclopropyl]-3-[(5-methyl-1H-pyrazol-4-yl)methyl]urea
SMILESCc1[nH]ncc1CNC(=O)N[C@@H]1C[C@H]1C1CCCCC1
InChIInChI=1S/C15H24N4O/c1-10-12(9-17-19-10)8-16-15(20)18-14-7-13(14)11-5-3-2-4-6-11/h9,11,13-14H,2-8H2,1H3,(H,17,19)(H2,16,18,20)/t13-,14+/m0/s1
InChIKeyATGFEWSVURERNI-UONOGXRCSA-N
MW276.38 g/mol
LogP2.49
Rot. Bonds4

About 1-[(1R,2S)-2-cyclohexylcyclopropyl]-3-[(5-methyl-1H-pyrazol-4-yl)methyl]urea

1-[(1R,2S)-2-cyclohexylcyclopropyl]-3-[(5-methyl-1H-pyrazol-4-yl)methyl]urea (PubChem CID 139010986) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[(1R,2S)-2-cyclohexylcyclopropyl]-3-[(5-methyl-1H-pyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[(1R,2S)-2-cyclohexylcyclopropyl]-3-[(5-methyl-1H-pyrazol-4-yl)methyl]urea
PubChem CID139010986
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-[(1R,2S)-2-cyclohexylcyclopropyl]-3-[(5-methyl-1H-pyrazol-4-yl)methyl]urea
SMILESCc1[nH]ncc1CNC(=O)N[C@@H]1C[C@H]1C1CCCCC1
InChIInChI=1S/C15H24N4O/c1-10-12(9-17-19-10)8-16-15(20)18-14-7-13(14)11-5-3-2-4-6-11/h9,11,13-14H,2-8H2,1H3,(H,17,19)(H2,16,18,20)/t13-,14+/m0/s1
InChIKeyATGFEWSVURERNI-UONOGXRCSA-N
XLogP2.49
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[(1R,2S)-2-cyclohexylcyclopropyl]-3-[(5-methyl-1H-pyrazol-4-yl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-cyclohexylcyclopropyl]-3-[(5-methyl-1H-pyrazol-4-yl)methyl]urea?
The IUPAC name of 1-[(1R,2S)-2-cyclohexylcyclopropyl]-3-[(5-methyl-1H-pyrazol-4-yl)methyl]urea (CID 139010986) is 1-[(1R,2S)-2-cyclohexylcyclopropyl]-3-[(5-methyl-1H-pyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-[(1R,2S)-2-cyclohexylcyclopropyl]-3-[(5-methyl-1H-pyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-[(1R,2S)-2-cyclohexylcyclopropyl]-3-[(5-methyl-1H-pyrazol-4-yl)methyl]urea is Cc1[nH]ncc1CNC(=O)N[C@@H]1C[C@H]1C1CCCCC1.
What is the InChIKey of 1-[(1R,2S)-2-cyclohexylcyclopropyl]-3-[(5-methyl-1H-pyrazol-4-yl)methyl]urea?
The InChIKey is ATGFEWSVURERNI-UONOGXRCSA-N. The full InChI is InChI=1S/C15H24N4O/c1-10-12(9-17-19-10)8-16-15(20)18-14-7-13(14)11-5-3-2-4-6-11/h9,11,13-14H,2-8H2,1H3,(H,17,19)(H2,16,18,20)/t13-,14+/m0/s1.
What are the key properties of 1-[(1R,2S)-2-cyclohexylcyclopropyl]-3-[(5-methyl-1H-pyrazol-4-yl)methyl]urea?
1-[(1R,2S)-2-cyclohexylcyclopropyl]-3-[(5-methyl-1H-pyrazol-4-yl)methyl]urea has a molecular weight of 276.38 g/mol, XLogP of 2.49, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-cyclohexylcyclopropyl]-3-[(5-methyl-1H-pyrazol-4-yl)methyl]urea is sourced from PubChem (CID 139010986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).