1-(difluoromethyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrazole-3-carboxamide

C16H15F2N5O — CID 131925735

IUPAC1-(difluoromethyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrazole-3-carboxamide
SMILESCC(NC(=O)c1ccn(C(F)F)n1)c1ccccc1-n1cccn1
InChIInChI=1S/C16H15F2N5O/c1-11(20-15(24)13-7-10-23(21-13)16(17)18)12-5-2-3-6-14(12)22-9-4-8-19-22/h2-11,16H,1H3,(H,20,24)
InChIKeyIDMGBRGAVVPSTA-UHFFFAOYSA-N
MW331.33 g/mol
LogP2.95
Rot. Bonds5

About 1-(difluoromethyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrazole-3-carboxamide

1-(difluoromethyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrazole-3-carboxamide (PubChem CID 131925735) has the molecular formula C16H15F2N5O and a molecular weight of 331.33 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrazole-3-carboxamide
PubChem CID131925735
Molecular FormulaC16H15F2N5O
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC Name1-(difluoromethyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrazole-3-carboxamide
SMILESCC(NC(=O)c1ccn(C(F)F)n1)c1ccccc1-n1cccn1
InChIInChI=1S/C16H15F2N5O/c1-11(20-15(24)13-7-10-23(21-13)16(17)18)12-5-2-3-6-14(12)22-9-4-8-19-22/h2-11,16H,1H3,(H,20,24)
InChIKeyIDMGBRGAVVPSTA-UHFFFAOYSA-N
XLogP2.95
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-pyrazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide
CID 50967869
N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide
CID 95130579
N-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide
CID 95130577
3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide
CID 91773190
2-methyl-3-oxo-3-[1-(2-pyrazol-1-ylphenyl)ethylamino]propanoic acid
CID 122065751
4,6-dimethyl-2-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1H-pyridine-3-carboxamide
CID 131924136
4-(1H-pyrazol-5-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]benzamide
CID 72879633
N-propan-2-yl-2-[[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]amino]acetamide
CID 97085171
6-methyl-4-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyran-2-carboxamide
CID 90649963
2-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1H-quinoline-4-carboxamide
CID 72873584
1-[1-(2-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120550077
5-(methylsulfanylmethyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide
CID 91785737

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrazole-3-carboxamide (CID 131925735) is 1-(difluoromethyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrazole-3-carboxamide is CC(NC(=O)c1ccn(C(F)F)n1)c1ccccc1-n1cccn1.
What is the InChIKey of 1-(difluoromethyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrazole-3-carboxamide?
The InChIKey is IDMGBRGAVVPSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5O/c1-11(20-15(24)13-7-10-23(21-13)16(17)18)12-5-2-3-6-14(12)22-9-4-8-19-22/h2-11,16H,1H3,(H,20,24).
What are the key properties of 1-(difluoromethyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrazole-3-carboxamide?
1-(difluoromethyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrazole-3-carboxamide has a molecular weight of 331.33 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 131925735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).