1-(difluoromethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide

C15H13F2N5O — CID 19268564

IUPAC1-(difluoromethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide
SMILESO=C(Nc1cccc(Cn2cccn2)c1)c1ccn(C(F)F)n1
InChIInChI=1S/C15H13F2N5O/c16-15(17)22-8-5-13(20-22)14(23)19-12-4-1-3-11(9-12)10-21-7-2-6-18-21/h1-9,15H,10H2,(H,19,23)
InChIKeyVQMCBKMMJJDBAP-UHFFFAOYSA-N
MW317.30 g/mol
LogP2.78
Rot. Bonds5

About 1-(difluoromethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide

1-(difluoromethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide (PubChem CID 19268564) has the molecular formula C15H13F2N5O and a molecular weight of 317.30 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide
PubChem CID19268564
Molecular FormulaC15H13F2N5O
Molecular Weight317.30 g/mol
Exact Mass317.11
IUPAC Name1-(difluoromethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide
SMILESO=C(Nc1cccc(Cn2cccn2)c1)c1ccn(C(F)F)n1
InChIInChI=1S/C15H13F2N5O/c16-15(17)22-8-5-13(20-22)14(23)19-12-4-1-3-11(9-12)10-21-7-2-6-18-21/h1-9,15H,10H2,(H,19,23)
InChIKeyVQMCBKMMJJDBAP-UHFFFAOYSA-N
XLogP2.78
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(difluoromethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide 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

N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440185
1-[(3-chloro-4-fluorophenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide
CID 19268745
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 19519463
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 43697313
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 43697329
5-acetamido-1-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide
CID 51999455
1-[(2-chloro-5-methylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide
CID 19275649
5-(4-methylphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 17022145
N-[3-(pyrazol-1-ylmethyl)phenyl]-2,1,3-benzothiadiazole-4-carboxamide
CID 42545419
1-oxido-N-[3-(pyrazol-1-ylmethyl)phenyl]pyridin-1-ium-2-carboxamide
CID 75532259
2-(2-methoxyethylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 79272205
3,5-dimethoxy-4-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 39695125

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide (CID 19268564) is 1-(difluoromethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide is O=C(Nc1cccc(Cn2cccn2)c1)c1ccn(C(F)F)n1.
What is the InChIKey of 1-(difluoromethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is VQMCBKMMJJDBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N5O/c16-15(17)22-8-5-13(20-22)14(23)19-12-4-1-3-11(9-12)10-21-7-2-6-18-21/h1-9,15H,10H2,(H,19,23).
What are the key properties of 1-(difluoromethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide?
1-(difluoromethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 317.30 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19268564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).