1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-[(1-pyrrolidin-1-ylcyclopentyl)methyl]urea

C18H31N5O — CID 125167603

IUPAC1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-[(1-pyrrolidin-1-ylcyclopentyl)methyl]urea
SMILESCC[C@H](C)n1nccc1NC(=O)NCC1(N2CCCC2)CCCC1
InChIInChI=1S/C18H31N5O/c1-3-15(2)23-16(8-11-20-23)21-17(24)19-14-18(9-4-5-10-18)22-12-6-7-13-22/h8,11,15H,3-7,9-10,12-14H2,1-2H3,(H2,19,21,24)/t15-/m0/s1
InChIKeyRTJBZEOWQJZNKC-HNNXBMFYSA-N
MW333.48 g/mol
LogP3.38
Rot. Bonds6

About 1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-[(1-pyrrolidin-1-ylcyclopentyl)methyl]urea

1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-[(1-pyrrolidin-1-ylcyclopentyl)methyl]urea (PubChem CID 125167603) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-[(1-pyrrolidin-1-ylcyclopentyl)methyl]urea.

Molecular Properties

Compound Name1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-[(1-pyrrolidin-1-ylcyclopentyl)methyl]urea
PubChem CID125167603
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Name1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-[(1-pyrrolidin-1-ylcyclopentyl)methyl]urea
SMILESCC[C@H](C)n1nccc1NC(=O)NCC1(N2CCCC2)CCCC1
InChIInChI=1S/C18H31N5O/c1-3-15(2)23-16(8-11-20-23)21-17(24)19-14-18(9-4-5-10-18)22-12-6-7-13-22/h8,11,15H,3-7,9-10,12-14H2,1-2H3,(H2,19,21,24)/t15-/m0/s1
InChIKeyRTJBZEOWQJZNKC-HNNXBMFYSA-N
XLogP3.38
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-[(1-pyrrolidin-1-ylcyclopentyl)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-(2-butan-2-ylpyrazol-3-yl)-3-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]urea
CID 167792435
1-(1-methylpyrazol-3-yl)-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea
CID 136524276
1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-(1-propylpiperidin-4-yl)urea
CID 97248271
N-(2-butan-2-ylpyrazol-3-yl)-2-methoxypropanamide
CID 87023937
N-(2-butan-2-ylpyrazol-3-yl)-2-chlorobenzamide
CID 78793939
N-(2-butan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 91959287
1-[1-(morpholin-4-ylmethyl)cyclopentyl]-3-[2-[(2S)-pentan-2-yl]pyrazol-3-yl]urea
CID 125172155
N-(2-butan-2-ylpyrazol-3-yl)-4-(2-oxopiperidin-1-yl)benzamide
CID 134041028
N-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-ylmethyl)acetamide
CID 121011981
(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 94896765
2-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
CID 60716987
(2R)-2-[4-(acetamidomethyl)piperidin-1-yl]-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]propanamide
CID 94183815

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-[(1-pyrrolidin-1-ylcyclopentyl)methyl]urea?
The IUPAC name of 1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-[(1-pyrrolidin-1-ylcyclopentyl)methyl]urea (CID 125167603) is 1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-[(1-pyrrolidin-1-ylcyclopentyl)methyl]urea.
What is the SMILES notation for 1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-[(1-pyrrolidin-1-ylcyclopentyl)methyl]urea?
The canonical SMILES for 1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-[(1-pyrrolidin-1-ylcyclopentyl)methyl]urea is CC[C@H](C)n1nccc1NC(=O)NCC1(N2CCCC2)CCCC1.
What is the InChIKey of 1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-[(1-pyrrolidin-1-ylcyclopentyl)methyl]urea?
The InChIKey is RTJBZEOWQJZNKC-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-3-15(2)23-16(8-11-20-23)21-17(24)19-14-18(9-4-5-10-18)22-12-6-7-13-22/h8,11,15H,3-7,9-10,12-14H2,1-2H3,(H2,19,21,24)/t15-/m0/s1.
What are the key properties of 1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-[(1-pyrrolidin-1-ylcyclopentyl)methyl]urea?
1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-[(1-pyrrolidin-1-ylcyclopentyl)methyl]urea has a molecular weight of 333.48 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-[(1-pyrrolidin-1-ylcyclopentyl)methyl]urea is sourced from PubChem (CID 125167603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).