1-[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea

C16H16F2N6O — CID 75434316

IUPAC1-[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea
SMILESCc1n[nH]c(C)c1NC(=O)Nc1ccc(-c2nccn2C(F)F)cc1
InChIInChI=1S/C16H16F2N6O/c1-9-13(10(2)23-22-9)21-16(25)20-12-5-3-11(4-6-12)14-19-7-8-24(14)15(17)18/h3-8,15H,1-2H3,(H,22,23)(H2,20,21,25)
InChIKeyJHVXMBHRXJHESD-UHFFFAOYSA-N
MW346.34 g/mol
LogP3.93
Rot. Bonds4

About 1-[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea

1-[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea (PubChem CID 75434316) has the molecular formula C16H16F2N6O and a molecular weight of 346.34 g/mol. Its IUPAC name is 1-[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea
PubChem CID75434316
Molecular FormulaC16H16F2N6O
Molecular Weight346.34 g/mol
Exact Mass346.14
IUPAC Name1-[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea
SMILESCc1n[nH]c(C)c1NC(=O)Nc1ccc(-c2nccn2C(F)F)cc1
InChIInChI=1S/C16H16F2N6O/c1-9-13(10(2)23-22-9)21-16(25)20-12-5-3-11(4-6-12)14-19-7-8-24(14)15(17)18/h3-8,15H,1-2H3,(H,22,23)(H2,20,21,25)
InChIKeyJHVXMBHRXJHESD-UHFFFAOYSA-N
XLogP3.93
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[4-(trifluoromethylsulfinyl)phenyl]urea
CID 75434351
4-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]benzoic acid
CID 61202247
1-[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 75374599
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]urea
CID 75434300
1-[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]-3-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 129445862
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61341795
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-phenoxy-4-pyridinyl)urea
CID 75434348
1-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea
CID 113433831
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-phenylmethoxy-4-pyridinyl)urea
CID 122159595
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
CID 86847428
1-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-3-(4-propan-2-ylphenyl)urea
CID 42874354
1-tert-butyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea
CID 43547022

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea?
The IUPAC name of 1-[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea (CID 75434316) is 1-[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea is Cc1n[nH]c(C)c1NC(=O)Nc1ccc(-c2nccn2C(F)F)cc1.
What is the InChIKey of 1-[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea?
The InChIKey is JHVXMBHRXJHESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N6O/c1-9-13(10(2)23-22-9)21-16(25)20-12-5-3-11(4-6-12)14-19-7-8-24(14)15(17)18/h3-8,15H,1-2H3,(H,22,23)(H2,20,21,25).
What are the key properties of 1-[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea?
1-[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea has a molecular weight of 346.34 g/mol, XLogP of 3.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea is sourced from PubChem (CID 75434316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).