1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[(1S)-3-(2-methylimidazol-1-yl)-1-phenylpropyl]urea

C21H26N6O — CID 97434130

IUPAC1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[(1S)-3-(2-methylimidazol-1-yl)-1-phenylpropyl]urea
SMILESCc1nccn1CC[C@H](NC(=O)Nc1ccnn1CC1CC1)c1ccccc1
InChIInChI=1S/C21H26N6O/c1-16-22-12-14-26(16)13-10-19(18-5-3-2-4-6-18)24-21(28)25-20-9-11-23-27(20)15-17-7-8-17/h2-6,9,11-12,14,17,19H,7-8,10,13,15H2,1H3,(H2,24,25,28)/t19-/m0/s1
InChIKeyCSUGILKHQMNBON-IBGZPJMESA-N
MW378.48 g/mol
LogP3.75
Rot. Bonds8

About 1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[(1S)-3-(2-methylimidazol-1-yl)-1-phenylpropyl]urea

1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[(1S)-3-(2-methylimidazol-1-yl)-1-phenylpropyl]urea (PubChem CID 97434130) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[(1S)-3-(2-methylimidazol-1-yl)-1-phenylpropyl]urea.

Molecular Properties

Compound Name1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[(1S)-3-(2-methylimidazol-1-yl)-1-phenylpropyl]urea
PubChem CID97434130
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[(1S)-3-(2-methylimidazol-1-yl)-1-phenylpropyl]urea
SMILESCc1nccn1CC[C@H](NC(=O)Nc1ccnn1CC1CC1)c1ccccc1
InChIInChI=1S/C21H26N6O/c1-16-22-12-14-26(16)13-10-19(18-5-3-2-4-6-18)24-21(28)25-20-9-11-23-27(20)15-17-7-8-17/h2-6,9,11-12,14,17,19H,7-8,10,13,15H2,1H3,(H2,24,25,28)/t19-/m0/s1
InChIKeyCSUGILKHQMNBON-IBGZPJMESA-N
XLogP3.75
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

formic acid;N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-2-pyrazol-1-ylacetamide
CID 154910019
1-methyl-N-[(1S)-3-(2-methylimidazol-1-yl)-1-phenylpropyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 96572217
2-(4-methyl-1,4-diazepan-1-yl)-N-[(1S)-3-(2-methylimidazol-1-yl)-1-phenylpropyl]acetamide
CID 125160415
N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
CID 77088444
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-(2-methylpropyl)pyrazol-3-yl]urea
CID 110936089
2-methyl-N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 77095447
N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-1H-benzimidazole-2-carboxamide
CID 119061752
N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 91796873
1-[2-(cyclohex-3-en-1-ylmethyl)pyrazol-3-yl]-3-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]urea
CID 118776982
1-[3-(2-methylimidazol-1-yl)propyl]-3-[(1S)-2-methylsulfanyl-1-phenylethyl]urea
CID 97317498
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
CID 75435277
1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
CID 118792578

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[(1S)-3-(2-methylimidazol-1-yl)-1-phenylpropyl]urea?
The IUPAC name of 1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[(1S)-3-(2-methylimidazol-1-yl)-1-phenylpropyl]urea (CID 97434130) is 1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[(1S)-3-(2-methylimidazol-1-yl)-1-phenylpropyl]urea.
What is the SMILES notation for 1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[(1S)-3-(2-methylimidazol-1-yl)-1-phenylpropyl]urea?
The canonical SMILES for 1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[(1S)-3-(2-methylimidazol-1-yl)-1-phenylpropyl]urea is Cc1nccn1CC[C@H](NC(=O)Nc1ccnn1CC1CC1)c1ccccc1.
What is the InChIKey of 1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[(1S)-3-(2-methylimidazol-1-yl)-1-phenylpropyl]urea?
The InChIKey is CSUGILKHQMNBON-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N6O/c1-16-22-12-14-26(16)13-10-19(18-5-3-2-4-6-18)24-21(28)25-20-9-11-23-27(20)15-17-7-8-17/h2-6,9,11-12,14,17,19H,7-8,10,13,15H2,1H3,(H2,24,25,28)/t19-/m0/s1.
What are the key properties of 1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[(1S)-3-(2-methylimidazol-1-yl)-1-phenylpropyl]urea?
1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[(1S)-3-(2-methylimidazol-1-yl)-1-phenylpropyl]urea has a molecular weight of 378.48 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[(1S)-3-(2-methylimidazol-1-yl)-1-phenylpropyl]urea is sourced from PubChem (CID 97434130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).