1-(1,3-ditert-butylpyrazol-5-yl)-3-[1-(hydroxymethyl)cyclopentyl]urea

C18H32N4O2 — CID 111926302

IUPAC1-(1,3-ditert-butylpyrazol-5-yl)-3-[1-(hydroxymethyl)cyclopentyl]urea
SMILESCC(C)(C)c1cc(NC(=O)NC2(CO)CCCC2)n(C(C)(C)C)n1
InChIInChI=1S/C18H32N4O2/c1-16(2,3)13-11-14(22(21-13)17(4,5)6)19-15(24)20-18(12-23)9-7-8-10-18/h11,23H,7-10,12H2,1-6H3,(H2,19,20,24)
InChIKeyAJPPARHGZKFEBW-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.36
Rot. Bonds3

About 1-(1,3-ditert-butylpyrazol-5-yl)-3-[1-(hydroxymethyl)cyclopentyl]urea

1-(1,3-ditert-butylpyrazol-5-yl)-3-[1-(hydroxymethyl)cyclopentyl]urea (PubChem CID 111926302) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-(1,3-ditert-butylpyrazol-5-yl)-3-[1-(hydroxymethyl)cyclopentyl]urea.

Molecular Properties

Compound Name1-(1,3-ditert-butylpyrazol-5-yl)-3-[1-(hydroxymethyl)cyclopentyl]urea
PubChem CID111926302
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name1-(1,3-ditert-butylpyrazol-5-yl)-3-[1-(hydroxymethyl)cyclopentyl]urea
SMILESCC(C)(C)c1cc(NC(=O)NC2(CO)CCCC2)n(C(C)(C)C)n1
InChIInChI=1S/C18H32N4O2/c1-16(2,3)13-11-14(22(21-13)17(4,5)6)19-15(24)20-18(12-23)9-7-8-10-18/h11,23H,7-10,12H2,1-6H3,(H2,19,20,24)
InChIKeyAJPPARHGZKFEBW-UHFFFAOYSA-N
XLogP3.36
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(1,3-ditert-butylpyrazol-5-yl)-3-[1-(hydroxymethyl)cyclopentyl]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-tert-butyl-N-[1-(hydroxymethyl)cyclopentyl]-5-propan-2-ylpyrazole-3-carboxamide
CID 110008342
1-[1-(hydroxymethyl)cyclopentyl]-3-(1-methylpyrazol-3-yl)urea
CID 111926215
1-[(1,3-ditert-butylpyrazol-5-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122079257
1-[(1,3-ditert-butylpyrazol-5-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122079262
3-(2-aminophenyl)-N-(1,3-ditert-butylpyrazol-5-yl)propanamide;hydrochloride
CID 120609710
1-[1-(hydroxymethyl)cyclopentyl]-3-pyridin-2-ylurea
CID 111911114
1-(2-bromo-4-methylphenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 111925840
1-(1,3-ditert-butylpyrazol-5-yl)-3-[(1S)-1-(1-ethylpyrazol-4-yl)propyl]urea
CID 95973620
N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl(phenylcarbamoyl)amino]acetamide
CID 5176067
trans-(1S,2S)-N-(1,3-ditert-butylpyrazol-5-yl)-2-nitrocyclopropane-1-carboxamide
CID 95174335
N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide
CID 42732187
1-[1-(hydroxymethyl)cyclopentyl]-3-(3,4,5-trifluorophenyl)urea
CID 111926557

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-ditert-butylpyrazol-5-yl)-3-[1-(hydroxymethyl)cyclopentyl]urea?
The IUPAC name of 1-(1,3-ditert-butylpyrazol-5-yl)-3-[1-(hydroxymethyl)cyclopentyl]urea (CID 111926302) is 1-(1,3-ditert-butylpyrazol-5-yl)-3-[1-(hydroxymethyl)cyclopentyl]urea.
What is the SMILES notation for 1-(1,3-ditert-butylpyrazol-5-yl)-3-[1-(hydroxymethyl)cyclopentyl]urea?
The canonical SMILES for 1-(1,3-ditert-butylpyrazol-5-yl)-3-[1-(hydroxymethyl)cyclopentyl]urea is CC(C)(C)c1cc(NC(=O)NC2(CO)CCCC2)n(C(C)(C)C)n1.
What is the InChIKey of 1-(1,3-ditert-butylpyrazol-5-yl)-3-[1-(hydroxymethyl)cyclopentyl]urea?
The InChIKey is AJPPARHGZKFEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-16(2,3)13-11-14(22(21-13)17(4,5)6)19-15(24)20-18(12-23)9-7-8-10-18/h11,23H,7-10,12H2,1-6H3,(H2,19,20,24).
What are the key properties of 1-(1,3-ditert-butylpyrazol-5-yl)-3-[1-(hydroxymethyl)cyclopentyl]urea?
1-(1,3-ditert-butylpyrazol-5-yl)-3-[1-(hydroxymethyl)cyclopentyl]urea has a molecular weight of 336.48 g/mol, XLogP of 3.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-ditert-butylpyrazol-5-yl)-3-[1-(hydroxymethyl)cyclopentyl]urea is sourced from PubChem (CID 111926302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).