1-(4-butylphenyl)-3-(1-phenylpyrazol-4-yl)urea

C20H22N4O — CID 153390159

IUPAC1-(4-butylphenyl)-3-(1-phenylpyrazol-4-yl)urea
SMILESCCCCc1ccc(NC(=O)Nc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C20H22N4O/c1-2-3-7-16-10-12-17(13-11-16)22-20(25)23-18-14-21-24(15-18)19-8-5-4-6-9-19/h4-6,8-15H,2-3,7H2,1H3,(H2,22,23,25)
InChIKeyKBMHYALIKVXQNY-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.86
Rot. Bonds6

About 1-(4-butylphenyl)-3-(1-phenylpyrazol-4-yl)urea

1-(4-butylphenyl)-3-(1-phenylpyrazol-4-yl)urea (PubChem CID 153390159) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-(4-butylphenyl)-3-(1-phenylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(4-butylphenyl)-3-(1-phenylpyrazol-4-yl)urea
PubChem CID153390159
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1-(4-butylphenyl)-3-(1-phenylpyrazol-4-yl)urea
SMILESCCCCc1ccc(NC(=O)Nc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C20H22N4O/c1-2-3-7-16-10-12-17(13-11-16)22-20(25)23-18-14-21-24(15-18)19-8-5-4-6-9-19/h4-6,8-15H,2-3,7H2,1H3,(H2,22,23,25)
InChIKeyKBMHYALIKVXQNY-UHFFFAOYSA-N
XLogP4.86
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-butylphenyl)-3-(1-phenylimidazol-4-yl)urea
CID 153390069
N-(4-butylphenyl)-1-phenyltriazole-4-carboxamide
CID 46686096
1-(4-cyanophenyl)-3-(1-phenylpyrazol-4-yl)urea
CID 47081496
1-(4-butylphenyl)pyrazole-4-carboxylic acid
CID 82365506
1-(4-butylphenyl)-3-(4-ethylphenyl)urea
CID 4616049
1-(4-bromophenyl)-3-(4-butylphenyl)urea
CID 108869207
1-(4-butylphenyl)-3-naphthalen-2-ylurea
CID 17265768
1-(4-hydroxy-2-methylbutan-2-yl)-3-(1-phenylpyrazol-4-yl)urea
CID 111926533
1-(3-methyl-4-phenoxyphenyl)-3-(1-phenylpyrazol-4-yl)urea
CID 139434229
1-[4-(4-chloropyrazol-1-yl)phenyl]-3-phenylurea
CID 35521242
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944
1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-3-(1-phenylpyrazol-4-yl)urea?
The IUPAC name of 1-(4-butylphenyl)-3-(1-phenylpyrazol-4-yl)urea (CID 153390159) is 1-(4-butylphenyl)-3-(1-phenylpyrazol-4-yl)urea.
What is the SMILES notation for 1-(4-butylphenyl)-3-(1-phenylpyrazol-4-yl)urea?
The canonical SMILES for 1-(4-butylphenyl)-3-(1-phenylpyrazol-4-yl)urea is CCCCc1ccc(NC(=O)Nc2cnn(-c3ccccc3)c2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-3-(1-phenylpyrazol-4-yl)urea?
The InChIKey is KBMHYALIKVXQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-2-3-7-16-10-12-17(13-11-16)22-20(25)23-18-14-21-24(15-18)19-8-5-4-6-9-19/h4-6,8-15H,2-3,7H2,1H3,(H2,22,23,25).
What are the key properties of 1-(4-butylphenyl)-3-(1-phenylpyrazol-4-yl)urea?
1-(4-butylphenyl)-3-(1-phenylpyrazol-4-yl)urea has a molecular weight of 334.42 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-3-(1-phenylpyrazol-4-yl)urea is sourced from PubChem (CID 153390159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).