1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide

C11H13F2N5O — CID 19268483

IUPAC1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
SMILESCc1c(CNC(=O)c2ccn(C(F)F)n2)cnn1C
InChIInChI=1S/C11H13F2N5O/c1-7-8(6-15-17(7)2)5-14-10(19)9-3-4-18(16-9)11(12)13/h3-4,6,11H,5H2,1-2H3,(H,14,19)
InChIKeyPLIIYOIOQLLTKS-UHFFFAOYSA-N
MW269.25 g/mol
LogP1.25
Rot. Bonds4

About 1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide

1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide (PubChem CID 19268483) has the molecular formula C11H13F2N5O and a molecular weight of 269.25 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
PubChem CID19268483
Molecular FormulaC11H13F2N5O
Molecular Weight269.25 g/mol
Exact Mass269.11
IUPAC Name1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
SMILESCc1c(CNC(=O)c2ccn(C(F)F)n2)cnn1C
InChIInChI=1S/C11H13F2N5O/c1-7-8(6-15-17(7)2)5-14-10(19)9-3-4-18(16-9)11(12)13/h3-4,6,11H,5H2,1-2H3,(H,14,19)
InChIKeyPLIIYOIOQLLTKS-UHFFFAOYSA-N
XLogP1.25
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]-1-methylpyrazole-3-carboxamide
CID 100815624
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-methylpyrazol-1-yl)propanamide
CID 19536899
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267597
1-[(4-tert-butylphenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19273684
1-[(2,4-dimethylphenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19582495
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,6-dimethoxybenzamide
CID 19571806
2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 126835562
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-hydrazinylpyridazine-3-carboxamide
CID 114139707
1-(difluoromethyl)-N-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]pyrazole-3-carboxamide
CID 19282073
ethyl 5-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-methylpyrazole-4-carboxylate
CID 19268660
N-[2-(diethylamino)ethyl]-1-(difluoromethyl)pyrazole-3-carboxamide
CID 19264128
2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluorobenzamide
CID 103861008

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide (CID 19268483) is 1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide is Cc1c(CNC(=O)c2ccn(C(F)F)n2)cnn1C.
What is the InChIKey of 1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is PLIIYOIOQLLTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N5O/c1-7-8(6-15-17(7)2)5-14-10(19)9-3-4-18(16-9)11(12)13/h3-4,6,11H,5H2,1-2H3,(H,14,19).
What are the key properties of 1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 269.25 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19268483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).