1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(1-phenylcyclopropyl)methyl]urea

C18H24N4O — CID 94183164

IUPAC1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(1-phenylcyclopropyl)methyl]urea
SMILESCc1c([C@@H](C)NC(=O)NCC2(c3ccccc3)CC2)cnn1C
InChIInChI=1S/C18H24N4O/c1-13(16-11-20-22(3)14(16)2)21-17(23)19-12-18(9-10-18)15-7-5-4-6-8-15/h4-8,11,13H,9-10,12H2,1-3H3,(H2,19,21,23)/t13-/m1/s1
InChIKeyLGJWVNKQIRTVGB-CYBMUJFWSA-N
MW312.42 g/mol
LogP2.82
Rot. Bonds5

About 1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(1-phenylcyclopropyl)methyl]urea

1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(1-phenylcyclopropyl)methyl]urea (PubChem CID 94183164) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(1-phenylcyclopropyl)methyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(1-phenylcyclopropyl)methyl]urea
PubChem CID94183164
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(1-phenylcyclopropyl)methyl]urea
SMILESCc1c([C@@H](C)NC(=O)NCC2(c3ccccc3)CC2)cnn1C
InChIInChI=1S/C18H24N4O/c1-13(16-11-20-22(3)14(16)2)21-17(23)19-12-18(9-10-18)15-7-5-4-6-8-15/h4-8,11,13H,9-10,12H2,1-3H3,(H2,19,21,23)/t13-/m1/s1
InChIKeyLGJWVNKQIRTVGB-CYBMUJFWSA-N
XLogP2.82
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(1-phenylcyclopropyl)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

Related Compounds

1-[(1-phenylcyclopropyl)methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 94163986
1-(5-methylhexan-2-yl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 112828675
1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea
CID 94154225
(2S)-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenoxypropanamide
CID 29183103
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119293154
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 51077850
2-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-3-carboxamide
CID 110467135
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide
CID 61214245
3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propanoic acid
CID 155858515
(3R)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-5-phenylpentanamide
CID 94800929
(3S)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-5-phenylpentanamide
CID 94800927
1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea
CID 95975932

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(1-phenylcyclopropyl)methyl]urea?
The IUPAC name of 1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(1-phenylcyclopropyl)methyl]urea (CID 94183164) is 1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(1-phenylcyclopropyl)methyl]urea.
What is the SMILES notation for 1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(1-phenylcyclopropyl)methyl]urea?
The canonical SMILES for 1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(1-phenylcyclopropyl)methyl]urea is Cc1c([C@@H](C)NC(=O)NCC2(c3ccccc3)CC2)cnn1C.
What is the InChIKey of 1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(1-phenylcyclopropyl)methyl]urea?
The InChIKey is LGJWVNKQIRTVGB-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13(16-11-20-22(3)14(16)2)21-17(23)19-12-18(9-10-18)15-7-5-4-6-8-15/h4-8,11,13H,9-10,12H2,1-3H3,(H2,19,21,23)/t13-/m1/s1.
What are the key properties of 1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(1-phenylcyclopropyl)methyl]urea?
1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(1-phenylcyclopropyl)methyl]urea has a molecular weight of 312.42 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(1-phenylcyclopropyl)methyl]urea is sourced from PubChem (CID 94183164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).