1-cyclobutyl-3-[4-(1H-pyrazol-5-yl)phenyl]urea

C14H16N4O — CID 115645017

IUPAC1-cyclobutyl-3-[4-(1H-pyrazol-5-yl)phenyl]urea
SMILESO=C(Nc1ccc(-c2ccn[nH]2)cc1)NC1CCC1
InChIInChI=1S/C14H16N4O/c19-14(16-11-2-1-3-11)17-12-6-4-10(5-7-12)13-8-9-15-18-13/h4-9,11H,1-3H2,(H,15,18)(H2,16,17,19)
InChIKeyIEMRRXXCZOVOQF-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.75
Rot. Bonds3

About 1-cyclobutyl-3-[4-(1H-pyrazol-5-yl)phenyl]urea

1-cyclobutyl-3-[4-(1H-pyrazol-5-yl)phenyl]urea (PubChem CID 115645017) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-cyclobutyl-3-[4-(1H-pyrazol-5-yl)phenyl]urea.

Molecular Properties

Compound Name1-cyclobutyl-3-[4-(1H-pyrazol-5-yl)phenyl]urea
PubChem CID115645017
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1-cyclobutyl-3-[4-(1H-pyrazol-5-yl)phenyl]urea
SMILESO=C(Nc1ccc(-c2ccn[nH]2)cc1)NC1CCC1
InChIInChI=1S/C14H16N4O/c19-14(16-11-2-1-3-11)17-12-6-4-10(5-7-12)13-8-9-15-18-13/h4-9,11H,1-3H2,(H,15,18)(H2,16,17,19)
InChIKeyIEMRRXXCZOVOQF-UHFFFAOYSA-N
XLogP2.75
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(4-bromophenyl)-3-cycloheptylurea
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1-cyclobutyl-3-pyridin-3-ylurea
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3-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
CID 61248448
1-cyclobutyl-3-(4-methylsulfonylphenyl)urea
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CID 46381066

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-[4-(1H-pyrazol-5-yl)phenyl]urea?
The IUPAC name of 1-cyclobutyl-3-[4-(1H-pyrazol-5-yl)phenyl]urea (CID 115645017) is 1-cyclobutyl-3-[4-(1H-pyrazol-5-yl)phenyl]urea.
What is the SMILES notation for 1-cyclobutyl-3-[4-(1H-pyrazol-5-yl)phenyl]urea?
The canonical SMILES for 1-cyclobutyl-3-[4-(1H-pyrazol-5-yl)phenyl]urea is O=C(Nc1ccc(-c2ccn[nH]2)cc1)NC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-[4-(1H-pyrazol-5-yl)phenyl]urea?
The InChIKey is IEMRRXXCZOVOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c19-14(16-11-2-1-3-11)17-12-6-4-10(5-7-12)13-8-9-15-18-13/h4-9,11H,1-3H2,(H,15,18)(H2,16,17,19).
What are the key properties of 1-cyclobutyl-3-[4-(1H-pyrazol-5-yl)phenyl]urea?
1-cyclobutyl-3-[4-(1H-pyrazol-5-yl)phenyl]urea has a molecular weight of 256.31 g/mol, XLogP of 2.75, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-[4-(1H-pyrazol-5-yl)phenyl]urea is sourced from PubChem (CID 115645017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).