1-(3-chloro-2-pyridinyl)-N-methyl-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C12H8ClF3N8O — CID 167873315

IUPAC1-(3-chloro-2-pyridinyl)-N-methyl-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F)c1nn[nH]n1
InChIInChI=1S/C12H8ClF3N8O/c1-23(11-19-21-22-20-11)10(25)6-5-18-24(8(6)12(14,15)16)9-7(13)3-2-4-17-9/h2-5H,1H3,(H,19,20,21,22)
InChIKeyTZNFWTBROIFOBU-UHFFFAOYSA-N
MW372.70 g/mol
LogP1.73
Rot. Bonds3

About 1-(3-chloro-2-pyridinyl)-N-methyl-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(3-chloro-2-pyridinyl)-N-methyl-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 167873315) has the molecular formula C12H8ClF3N8O and a molecular weight of 372.70 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-methyl-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-N-methyl-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID167873315
Molecular FormulaC12H8ClF3N8O
Molecular Weight372.70 g/mol
Exact Mass372.05
IUPAC Name1-(3-chloro-2-pyridinyl)-N-methyl-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F)c1nn[nH]n1
InChIInChI=1S/C12H8ClF3N8O/c1-23(11-19-21-22-20-11)10(25)6-5-18-24(8(6)12(14,15)16)9-7(13)3-2-4-17-9/h2-5H,1H3,(H,19,20,21,22)
InChIKeyTZNFWTBROIFOBU-UHFFFAOYSA-N
XLogP1.73
TPSA105.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.70
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-chloro-2-pyridinyl)-N-[2-(methylamino)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide;dihydrochloride
CID 119501500
N-(2-amino-2-ethylbutyl)-1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;dihydrochloride
CID 119641206
N-(3-aminopropyl)-1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 119406316
N-[(2S)-1-aminopropan-2-yl]-1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 120505787
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone;dihydrochloride
CID 120658487
1-(3-chloro-2-pyridinyl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 119511572
1-(4-chlorophenyl)-N,5-dimethyl-N-(2H-tetrazol-5-yl)pyrazole-4-carboxamide
CID 146096145
1-(3-chloro-2-pyridinyl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;dihydrochloride
CID 119511571
N-[2-(aminomethyl)cyclopentyl]-1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 119602270
1-(3-chloro-2-pyridinyl)-N-piperidin-3-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 119426018
[1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-yl]-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612806
5-[chloro(difluoro)methyl]-1-(3-chloro-2-pyridinyl)-N'-phenylpyrazole-4-carbohydrazide
CID 75370746

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-N-methyl-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-N-methyl-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 167873315) is 1-(3-chloro-2-pyridinyl)-N-methyl-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-N-methyl-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-N-methyl-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is CN(C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F)c1nn[nH]n1.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-N-methyl-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is TZNFWTBROIFOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N8O/c1-23(11-19-21-22-20-11)10(25)6-5-18-24(8(6)12(14,15)16)9-7(13)3-2-4-17-9/h2-5H,1H3,(H,19,20,21,22).
What are the key properties of 1-(3-chloro-2-pyridinyl)-N-methyl-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(3-chloro-2-pyridinyl)-N-methyl-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 372.70 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-N-methyl-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 167873315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).