1-butyl-1-methyl-3-(3-pyrazol-1-ylphenyl)urea

C15H20N4O — CID 47223913

IUPAC1-butyl-1-methyl-3-(3-pyrazol-1-ylphenyl)urea
SMILESCCCCN(C)C(=O)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C15H20N4O/c1-3-4-10-18(2)15(20)17-13-7-5-8-14(12-13)19-11-6-9-16-19/h5-9,11-12H,3-4,10H2,1-2H3,(H,17,20)
InChIKeySUNRKGGEQKWWCK-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.14
Rot. Bonds5

About 1-butyl-1-methyl-3-(3-pyrazol-1-ylphenyl)urea

1-butyl-1-methyl-3-(3-pyrazol-1-ylphenyl)urea (PubChem CID 47223913) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-butyl-1-methyl-3-(3-pyrazol-1-ylphenyl)urea.

Molecular Properties

Compound Name1-butyl-1-methyl-3-(3-pyrazol-1-ylphenyl)urea
PubChem CID47223913
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-butyl-1-methyl-3-(3-pyrazol-1-ylphenyl)urea
SMILESCCCCN(C)C(=O)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C15H20N4O/c1-3-4-10-18(2)15(20)17-13-7-5-8-14(12-13)19-11-6-9-16-19/h5-9,11-12H,3-4,10H2,1-2H3,(H,17,20)
InChIKeySUNRKGGEQKWWCK-UHFFFAOYSA-N
XLogP3.14
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1-methyl-3-(3-pyrazol-1-ylphenyl)urea
CID 72842549
1-butyl-1-methyl-3-(3-methylphenyl)urea
CID 5220454
1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-3-(3-pyrazol-1-ylphenyl)urea
CID 74233918
1-butyl-3-(3-ethylphenyl)-1-methylurea
CID 5202320
ethyl N-(3-pyrazol-1-ylphenyl)carbamate
CID 61061847
2-bromo-N-(3-pyrazol-1-ylphenyl)butanamide
CID 62856845
3-(ethylamino)-N-(3-pyrazol-1-ylphenyl)propanamide
CID 62832323
3-oxo-3-(3-pyrazol-1-ylanilino)propanoic acid
CID 55049356
5-oxo-5-(3-pyrazol-1-ylanilino)pentanoic acid
CID 60940474
3-(3-acetylphenyl)-1-methyl-1-pentylurea
CID 61347402
N-hexyl-3-pyrazol-1-ylaniline
CID 43739910
(E)-N-(3-pyrazol-1-ylphenyl)but-2-enamide
CID 110470249

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-methyl-3-(3-pyrazol-1-ylphenyl)urea?
The IUPAC name of 1-butyl-1-methyl-3-(3-pyrazol-1-ylphenyl)urea (CID 47223913) is 1-butyl-1-methyl-3-(3-pyrazol-1-ylphenyl)urea.
What is the SMILES notation for 1-butyl-1-methyl-3-(3-pyrazol-1-ylphenyl)urea?
The canonical SMILES for 1-butyl-1-methyl-3-(3-pyrazol-1-ylphenyl)urea is CCCCN(C)C(=O)Nc1cccc(-n2cccn2)c1.
What is the InChIKey of 1-butyl-1-methyl-3-(3-pyrazol-1-ylphenyl)urea?
The InChIKey is SUNRKGGEQKWWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-4-10-18(2)15(20)17-13-7-5-8-14(12-13)19-11-6-9-16-19/h5-9,11-12H,3-4,10H2,1-2H3,(H,17,20).
What are the key properties of 1-butyl-1-methyl-3-(3-pyrazol-1-ylphenyl)urea?
1-butyl-1-methyl-3-(3-pyrazol-1-ylphenyl)urea has a molecular weight of 272.35 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-methyl-3-(3-pyrazol-1-ylphenyl)urea is sourced from PubChem (CID 47223913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).