1-cyclopentyl-3-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]urea

C19H26N4O — CID 110747761

IUPAC1-cyclopentyl-3-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]urea
SMILESCc1nn(-c2ccccc2)c(C)c1CCNC(=O)NC1CCCC1
InChIInChI=1S/C19H26N4O/c1-14-18(12-13-20-19(24)21-16-8-6-7-9-16)15(2)23(22-14)17-10-4-3-5-11-17/h3-5,10-11,16H,6-9,12-13H2,1-2H3,(H2,20,21,24)
InChIKeyWDMPHFNGGZSMAA-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.27
Rot. Bonds5

About 1-cyclopentyl-3-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]urea

1-cyclopentyl-3-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]urea (PubChem CID 110747761) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]urea
PubChem CID110747761
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-cyclopentyl-3-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]urea
SMILESCc1nn(-c2ccccc2)c(C)c1CCNC(=O)NC1CCCC1
InChIInChI=1S/C19H26N4O/c1-14-18(12-13-20-19(24)21-16-8-6-7-9-16)15(2)23(22-14)17-10-4-3-5-11-17/h3-5,10-11,16H,6-9,12-13H2,1-2H3,(H2,20,21,24)
InChIKeyWDMPHFNGGZSMAA-UHFFFAOYSA-N
XLogP3.27
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]cyclobutanecarboxamide
CID 110717356
N-cycloheptyl-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 9268507
N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]pentanamide
CID 110717337
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9272967
N-cyclopentyl-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 46489384
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoic acid
CID 783981
1-[(R)-cyclobutyl(phenyl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 95318618
2-cyclohexyl-N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]acetamide;dihydrochloride
CID 67037773
3,5-dimethyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119424409
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 35331106
1-[3-(cyclopropylmethoxy)propyl]-3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]urea
CID 86994167
1-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 124612268

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-cyclopentyl-3-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]urea (CID 110747761) is 1-cyclopentyl-3-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]urea is Cc1nn(-c2ccccc2)c(C)c1CCNC(=O)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]urea?
The InChIKey is WDMPHFNGGZSMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14-18(12-13-20-19(24)21-16-8-6-7-9-16)15(2)23(22-14)17-10-4-3-5-11-17/h3-5,10-11,16H,6-9,12-13H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-cyclopentyl-3-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]urea?
1-cyclopentyl-3-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]urea has a molecular weight of 326.44 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 110747761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).