1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea

C19H24N4O2 — CID 75390022

IUPAC1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
SMILESCC(NC(=O)N[C@@H]1C=C[C@H](CO)C1)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C19H24N4O2/c1-14(21-19(25)22-18-8-7-16(9-18)13-24)17-10-20-23(12-17)11-15-5-3-2-4-6-15/h2-8,10,12,14,16,18,24H,9,11,13H2,1H3,(H2,21,22,25)/t14?,16-,18+/m0/s1
InChIKeyAIUIFKPEMALSKB-RNYWFIABSA-N
MW340.43 g/mol
LogP2.23
Rot. Bonds6

About 1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea

1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea (PubChem CID 75390022) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea.

Molecular Properties

Compound Name1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
PubChem CID75390022
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
SMILESCC(NC(=O)N[C@@H]1C=C[C@H](CO)C1)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C19H24N4O2/c1-14(21-19(25)22-18-8-7-16(9-18)13-24)17-10-20-23(12-17)11-15-5-3-2-4-6-15/h2-8,10,12,14,16,18,24H,9,11,13H2,1H3,(H2,21,22,25)/t14?,16-,18+/m0/s1
InChIKeyAIUIFKPEMALSKB-RNYWFIABSA-N
XLogP2.23
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-carboxamide
CID 111696717
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(4-phenylphenyl)ethyl]urea
CID 111630345
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(1-pyridin-4-ylethyl)urea
CID 111630344
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(4-methylphenyl)ethyl]urea
CID 111630678
1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 71864249
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(2-methylphenyl)ethyl]urea
CID 111630257
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111630565
1-[(1S)-1-(1-benzylpyrazol-4-yl)ethyl]-3-[2-(1-hydroxycyclobutyl)ethyl]urea
CID 124854951
1-[(1R)-1-(1-benzylpyrazol-4-yl)ethyl]-3-[2-(1-hydroxycyclobutyl)ethyl]urea
CID 124854952
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 111630456
2-amino-N-[1-(1-benzylpyrazol-4-yl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120993484
N-[1-(1-benzylpyrazol-4-yl)ethyl]-4-ethylpiperazine-1-carboxamide
CID 75390241

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea?
The IUPAC name of 1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea (CID 75390022) is 1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea.
What is the SMILES notation for 1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea?
The canonical SMILES for 1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea is CC(NC(=O)N[C@@H]1C=C[C@H](CO)C1)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea?
The InChIKey is AIUIFKPEMALSKB-RNYWFIABSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14(21-19(25)22-18-8-7-16(9-18)13-24)17-10-20-23(12-17)11-15-5-3-2-4-6-15/h2-8,10,12,14,16,18,24H,9,11,13H2,1H3,(H2,21,22,25)/t14?,16-,18+/m0/s1.
What are the key properties of 1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea?
1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea has a molecular weight of 340.43 g/mol, XLogP of 2.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea is sourced from PubChem (CID 75390022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).