N-(2,2-difluoroethyl)-5-methyl-1H-pyrazole-4-carboxamide

C7H9F2N3O — CID 79080022

IUPACN-(2,2-difluoroethyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NCC(F)F
InChIInChI=1S/C7H9F2N3O/c1-4-5(2-11-12-4)7(13)10-3-6(8)9/h2,6H,3H2,1H3,(H,10,13)(H,11,12)
InChIKeyRBLLVRKYIGAQPM-UHFFFAOYSA-N
MW189.16 g/mol
LogP0.71
Rot. Bonds3

About N-(2,2-difluoroethyl)-5-methyl-1H-pyrazole-4-carboxamide

N-(2,2-difluoroethyl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 79080022) has the molecular formula C7H9F2N3O and a molecular weight of 189.16 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID79080022
Molecular FormulaC7H9F2N3O
Molecular Weight189.16 g/mol
Exact Mass189.07
IUPAC NameN-(2,2-difluoroethyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NCC(F)F
InChIInChI=1S/C7H9F2N3O/c1-4-5(2-11-12-4)7(13)10-3-6(8)9/h2,6H,3H2,1H3,(H,10,13)(H,11,12)
InChIKeyRBLLVRKYIGAQPM-UHFFFAOYSA-N
XLogP0.71
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.16
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 102700145
2-[[(5-methyl-1H-pyrazole-4-carbonyl)amino]methyl]butanoic acid
CID 65218133
methyl 2-hydroxy-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]propanoate
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N-(2-bromo-2-cyclopropylethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 114315935
N-(2-chloro-2-phenylethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 113271434
N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 65110977
N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 107300381
5-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-1H-pyrazole-4-carboxamide
CID 63372842
5-methyl-N-pentan-3-yl-1H-pyrazole-4-carboxamide
CID 63996997
N-(3-iodopropyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 114504025
N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 107318827
5-methyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-4-carboxamide
CID 62307907

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-5-methyl-1H-pyrazole-4-carboxamide (CID 79080022) is N-(2,2-difluoroethyl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is RBLLVRKYIGAQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O/c1-4-5(2-11-12-4)7(13)10-3-6(8)9/h2,6H,3H2,1H3,(H,10,13)(H,11,12).
What are the key properties of N-(2,2-difluoroethyl)-5-methyl-1H-pyrazole-4-carboxamide?
N-(2,2-difluoroethyl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 189.16 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 79080022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).