1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea

C15H15F2N7O — CID 71984854

IUPAC1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
SMILESO=C(Nc1cnn(CC(F)F)c1)Nc1ccn(Cc2ccccn2)n1
InChIInChI=1S/C15H15F2N7O/c16-13(17)10-24-9-12(7-19-24)20-15(25)21-14-4-6-23(22-14)8-11-3-1-2-5-18-11/h1-7,9,13H,8,10H2,(H2,20,21,22,25)
InChIKeyIZZIEQZCMNWGAI-UHFFFAOYSA-N
MW347.33 g/mol
LogP2.43
Rot. Bonds6

About 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea

1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea (PubChem CID 71984854) has the molecular formula C15H15F2N7O and a molecular weight of 347.33 g/mol. Its IUPAC name is 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
PubChem CID71984854
Molecular FormulaC15H15F2N7O
Molecular Weight347.33 g/mol
Exact Mass347.13
IUPAC Name1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
SMILESO=C(Nc1cnn(CC(F)F)c1)Nc1ccn(Cc2ccccn2)n1
InChIInChI=1S/C15H15F2N7O/c16-13(17)10-24-9-12(7-19-24)20-15(25)21-14-4-6-23(22-14)8-11-3-1-2-5-18-11/h1-7,9,13H,8,10H2,(H2,20,21,22,25)
InChIKeyIZZIEQZCMNWGAI-UHFFFAOYSA-N
XLogP2.43
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-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-[2-(4-hydroxyphenyl)ethyl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
CID 166181805
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[4-(triazol-2-yl)phenyl]urea
CID 71867165
1-(5-heptan-3-yl-1H-pyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]urea
CID 166226441
4-phenyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]butanamide
CID 51101514
(E)-3-(2,6-difluorophenyl)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]prop-2-enamide
CID 51101513
2,2-dichloro-1-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 71881007
N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-4-pyrrol-1-ylbenzamide
CID 51101543
(2S)-3-methyl-2-piperidin-1-yl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]butanamide
CID 99816503
3-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]benzamide
CID 51101562
1-(cyclopropanecarbonyl)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide
CID 71934842
2-(3-fluorophenyl)-2-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]propanamide
CID 75372346
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea
CID 111521217

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea?
The IUPAC name of 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea (CID 71984854) is 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea is O=C(Nc1cnn(CC(F)F)c1)Nc1ccn(Cc2ccccn2)n1.
What is the InChIKey of 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea?
The InChIKey is IZZIEQZCMNWGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N7O/c16-13(17)10-24-9-12(7-19-24)20-15(25)21-14-4-6-23(22-14)8-11-3-1-2-5-18-11/h1-7,9,13H,8,10H2,(H2,20,21,22,25).
What are the key properties of 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea?
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea has a molecular weight of 347.33 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea is sourced from PubChem (CID 71984854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).