1,1-dimethyl-3-(2-pyrazol-1-ylphenyl)urea

C12H14N4O — CID 110470431

IUPAC1,1-dimethyl-3-(2-pyrazol-1-ylphenyl)urea
SMILESCN(C)C(=O)Nc1ccccc1-n1cccn1
InChIInChI=1S/C12H14N4O/c1-15(2)12(17)14-10-6-3-4-7-11(10)16-9-5-8-13-16/h3-9H,1-2H3,(H,14,17)
InChIKeyZAPIXOWNBNZWDG-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.97
Rot. Bonds2

About 1,1-dimethyl-3-(2-pyrazol-1-ylphenyl)urea

1,1-dimethyl-3-(2-pyrazol-1-ylphenyl)urea (PubChem CID 110470431) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 1,1-dimethyl-3-(2-pyrazol-1-ylphenyl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(2-pyrazol-1-ylphenyl)urea
PubChem CID110470431
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name1,1-dimethyl-3-(2-pyrazol-1-ylphenyl)urea
SMILESCN(C)C(=O)Nc1ccccc1-n1cccn1
InChIInChI=1S/C12H14N4O/c1-15(2)12(17)14-10-6-3-4-7-11(10)16-9-5-8-13-16/h3-9H,1-2H3,(H,14,17)
InChIKeyZAPIXOWNBNZWDG-UHFFFAOYSA-N
XLogP1.97
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2-pyrazol-1-ylphenyl)urea
CID 47040862
1-[(3S,4R)-4-hydroxyoxolan-3-yl]-1-methyl-3-(2-pyrazol-1-ylphenyl)urea
CID 118769316
3-methyl-N-(2-pyrazol-1-ylphenyl)but-2-enamide
CID 47234607
4-acetyl-N-(2-pyrazol-1-ylphenyl)piperazine-1-carboxamide
CID 47040881
4-hydroxy-N-(2-pyrazol-1-ylphenyl)butanamide
CID 79200496
3-(ethylamino)-N-(2-pyrazol-1-ylphenyl)propanamide
CID 62833081
3-amino-N-(2-pyrazol-1-ylphenyl)butanamide
CID 60837811
1-[3-(N-methylanilino)propyl]-3-(2-pyrazol-1-ylphenyl)urea
CID 52626682
2,2,3,3-tetrafluoro-N-(2-pyrazol-1-ylphenyl)propanamide
CID 103732765
4-propan-2-yl-N-(2-pyrazol-1-ylphenyl)benzamide
CID 47045211
4-amino-N-(2-pyrazol-1-ylphenyl)pentanamide;hydrochloride
CID 120558593
1-pentan-2-yl-3-(2-pyrazol-1-ylphenyl)urea
CID 47040904

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(2-pyrazol-1-ylphenyl)urea?
The IUPAC name of 1,1-dimethyl-3-(2-pyrazol-1-ylphenyl)urea (CID 110470431) is 1,1-dimethyl-3-(2-pyrazol-1-ylphenyl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(2-pyrazol-1-ylphenyl)urea?
The canonical SMILES for 1,1-dimethyl-3-(2-pyrazol-1-ylphenyl)urea is CN(C)C(=O)Nc1ccccc1-n1cccn1.
What is the InChIKey of 1,1-dimethyl-3-(2-pyrazol-1-ylphenyl)urea?
The InChIKey is ZAPIXOWNBNZWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-15(2)12(17)14-10-6-3-4-7-11(10)16-9-5-8-13-16/h3-9H,1-2H3,(H,14,17).
What are the key properties of 1,1-dimethyl-3-(2-pyrazol-1-ylphenyl)urea?
1,1-dimethyl-3-(2-pyrazol-1-ylphenyl)urea has a molecular weight of 230.27 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(2-pyrazol-1-ylphenyl)urea is sourced from PubChem (CID 110470431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).