1-pentan-2-yl-3-(2-pyrazol-1-ylphenyl)urea

C15H20N4O — CID 47040904

IUPAC1-pentan-2-yl-3-(2-pyrazol-1-ylphenyl)urea
SMILESCCCC(C)NC(=O)Nc1ccccc1-n1cccn1
InChIInChI=1S/C15H20N4O/c1-3-7-12(2)17-15(20)18-13-8-4-5-9-14(13)19-11-6-10-16-19/h4-6,8-12H,3,7H2,1-2H3,(H2,17,18,20)
InChIKeyCFTKXHNOWVCVBW-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.18
Rot. Bonds5

About 1-pentan-2-yl-3-(2-pyrazol-1-ylphenyl)urea

1-pentan-2-yl-3-(2-pyrazol-1-ylphenyl)urea (PubChem CID 47040904) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-pentan-2-yl-3-(2-pyrazol-1-ylphenyl)urea.

Molecular Properties

Compound Name1-pentan-2-yl-3-(2-pyrazol-1-ylphenyl)urea
PubChem CID47040904
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-pentan-2-yl-3-(2-pyrazol-1-ylphenyl)urea
SMILESCCCC(C)NC(=O)Nc1ccccc1-n1cccn1
InChIInChI=1S/C15H20N4O/c1-3-7-12(2)17-15(20)18-13-8-4-5-9-14(13)19-11-6-10-16-19/h4-6,8-12H,3,7H2,1-2H3,(H2,17,18,20)
InChIKeyCFTKXHNOWVCVBW-UHFFFAOYSA-N
XLogP3.18
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-amino-3-methyl-N-(2-pyrazol-1-ylphenyl)pentanamide
CID 61178018
4-amino-N-(2-pyrazol-1-ylphenyl)pentanamide;hydrochloride
CID 120558593
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-pyrazol-1-ylphenyl)urea
CID 47040820
3-amino-N-(2-pyrazol-1-ylphenyl)butanamide
CID 60837811
3-(ethylamino)-N-(2-pyrazol-1-ylphenyl)propanamide
CID 62833081
1,1-dimethyl-3-(2-pyrazol-1-ylphenyl)urea
CID 110470431
4-propan-2-yl-N-(2-pyrazol-1-ylphenyl)benzamide
CID 47045211
3-methyl-N-(2-pyrazol-1-ylphenyl)but-2-enamide
CID 47234607
4-acetyl-N-(2-pyrazol-1-ylphenyl)piperazine-1-carboxamide
CID 47040881
1-(2-fluorophenyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 47027605
4-hydroxy-N-(2-pyrazol-1-ylphenyl)butanamide
CID 79200496
1-[(4-methoxyphenyl)methyl]-3-(2-pyrazol-1-ylphenyl)urea
CID 47040896

Frequently Asked Questions

What is the IUPAC name of 1-pentan-2-yl-3-(2-pyrazol-1-ylphenyl)urea?
The IUPAC name of 1-pentan-2-yl-3-(2-pyrazol-1-ylphenyl)urea (CID 47040904) is 1-pentan-2-yl-3-(2-pyrazol-1-ylphenyl)urea.
What is the SMILES notation for 1-pentan-2-yl-3-(2-pyrazol-1-ylphenyl)urea?
The canonical SMILES for 1-pentan-2-yl-3-(2-pyrazol-1-ylphenyl)urea is CCCC(C)NC(=O)Nc1ccccc1-n1cccn1.
What is the InChIKey of 1-pentan-2-yl-3-(2-pyrazol-1-ylphenyl)urea?
The InChIKey is CFTKXHNOWVCVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-7-12(2)17-15(20)18-13-8-4-5-9-14(13)19-11-6-10-16-19/h4-6,8-12H,3,7H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-pentan-2-yl-3-(2-pyrazol-1-ylphenyl)urea?
1-pentan-2-yl-3-(2-pyrazol-1-ylphenyl)urea has a molecular weight of 272.35 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-2-yl-3-(2-pyrazol-1-ylphenyl)urea is sourced from PubChem (CID 47040904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).