1-[(1-methylpyrazol-4-yl)methyl]-3-phenylurea

C12H14N4O — CID 2933645

IUPAC1-[(1-methylpyrazol-4-yl)methyl]-3-phenylurea
SMILESCn1cc(CNC(=O)Nc2ccccc2)cn1
InChIInChI=1S/C12H14N4O/c1-16-9-10(8-14-16)7-13-12(17)15-11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H2,13,15,17)
InChIKeyGFTOHKGDTOOIIC-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.74
Rot. Bonds3

About 1-[(1-methylpyrazol-4-yl)methyl]-3-phenylurea

1-[(1-methylpyrazol-4-yl)methyl]-3-phenylurea (PubChem CID 2933645) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-4-yl)methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(1-methylpyrazol-4-yl)methyl]-3-phenylurea
PubChem CID2933645
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name1-[(1-methylpyrazol-4-yl)methyl]-3-phenylurea
SMILESCn1cc(CNC(=O)Nc2ccccc2)cn1
InChIInChI=1S/C12H14N4O/c1-16-9-10(8-14-16)7-13-12(17)15-11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H2,13,15,17)
InChIKeyGFTOHKGDTOOIIC-UHFFFAOYSA-N
XLogP1.74
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-3-[1-(propan-2-yl)-1H-pyrazol-5-yl]urea
CID 9361722
N-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-N'-[4-(trifluoromethyl)phenyl]urea
CID 2807796
1-(2-Methylpyrazol-3-yl)-3-phenylurea
CID 2808767
methyl((1-phenyl-1H-pyrazol-4-yl)methyl)amine
CID 7131170
N-(3-chlorophenyl)-N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 831809
N-(4-chlorophenyl)-N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 842009
N-(3,4-dichlorophenyl)-N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 897364
1-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-3-phenylthiourea
CID 6878515
N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 1244086
N-[2-(3-phenylpyrazol-1-yl)propyl]piperidine-1-carboxamide
CID 118514522
N-[1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 118514528
N-[2-(3-phenylpyrazol-1-yl)ethyl]piperidine-1-carboxamide
CID 118524339

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]-3-phenylurea?
The IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]-3-phenylurea (CID 2933645) is 1-[(1-methylpyrazol-4-yl)methyl]-3-phenylurea.
What is the SMILES notation for 1-[(1-methylpyrazol-4-yl)methyl]-3-phenylurea?
The canonical SMILES for 1-[(1-methylpyrazol-4-yl)methyl]-3-phenylurea is Cn1cc(CNC(=O)Nc2ccccc2)cn1.
What is the InChIKey of 1-[(1-methylpyrazol-4-yl)methyl]-3-phenylurea?
The InChIKey is GFTOHKGDTOOIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-16-9-10(8-14-16)7-13-12(17)15-11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H2,13,15,17).
What are the key properties of 1-[(1-methylpyrazol-4-yl)methyl]-3-phenylurea?
1-[(1-methylpyrazol-4-yl)methyl]-3-phenylurea has a molecular weight of 230.27 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-4-yl)methyl]-3-phenylurea is sourced from PubChem (CID 2933645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).