1-propan-2-yl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea

C14H18N4O — CID 47442545

IUPAC1-propan-2-yl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
SMILESCC(C)NC(=O)Nc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C14H18N4O/c1-11(2)16-14(19)17-13-6-4-12(5-7-13)10-18-9-3-8-15-18/h3-9,11H,10H2,1-2H3,(H2,16,17,19)
InChIKeyVQPWCMOFUYQYJF-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.46
Rot. Bonds4

About 1-propan-2-yl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea

1-propan-2-yl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea (PubChem CID 47442545) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-propan-2-yl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-propan-2-yl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
PubChem CID47442545
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-propan-2-yl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
SMILESCC(C)NC(=O)Nc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C14H18N4O/c1-11(2)16-14(19)17-13-6-4-12(5-7-13)10-18-9-3-8-15-18/h3-9,11H,10H2,1-2H3,(H2,16,17,19)
InChIKeyVQPWCMOFUYQYJF-UHFFFAOYSA-N
XLogP2.46
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-hydroxy-4-methylpentan-2-yl)-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 111424876
2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 47353024
1-(4-propylphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 112824919
1-cyclohexyl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 60591547
(2R)-2-amino-4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 104902970
1-propan-2-yl-3-(4-pyrazol-1-ylphenyl)urea
CID 110748862
N-propyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbamoylamino]acetamide
CID 60591643
3-methyl-2-(3-methylbutanoylamino)-N-[4-(pyrazol-1-ylmethyl)phenyl]butanamide
CID 55970952
[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate
CID 55503441
1-(4-methylphenyl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94116600
(3R)-3-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]piperidine-1-carboxamide
CID 95266842
4-oxo-4-[4-(pyrazol-1-ylmethyl)anilino]butanoic acid
CID 60933846

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea?
The IUPAC name of 1-propan-2-yl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea (CID 47442545) is 1-propan-2-yl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea.
What is the SMILES notation for 1-propan-2-yl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea?
The canonical SMILES for 1-propan-2-yl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea is CC(C)NC(=O)Nc1ccc(Cn2cccn2)cc1.
What is the InChIKey of 1-propan-2-yl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea?
The InChIKey is VQPWCMOFUYQYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-11(2)16-14(19)17-13-6-4-12(5-7-13)10-18-9-3-8-15-18/h3-9,11H,10H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-propan-2-yl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea?
1-propan-2-yl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea has a molecular weight of 258.32 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea is sourced from PubChem (CID 47442545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).