N-(5-chloro-2-pyridinyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

C12H10ClF3N4O — CID 45147767

IUPACN-(5-chloro-2-pyridinyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cn1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C12H10ClF3N4O/c1-7(20-5-4-9(19-20)12(14,15)16)11(21)18-10-3-2-8(13)6-17-10/h2-7H,1H3,(H,17,18,21)
InChIKeyBDNGGFARGSGYQK-UHFFFAOYSA-N
MW318.69 g/mol
LogP3.15
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-(5-chloro-2-pyridinyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 45147767) has the molecular formula C12H10ClF3N4O and a molecular weight of 318.69 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID45147767
Molecular FormulaC12H10ClF3N4O
Molecular Weight318.69 g/mol
Exact Mass318.05
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cn1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C12H10ClF3N4O/c1-7(20-5-4-9(19-20)12(14,15)16)11(21)18-10-3-2-8(13)6-17-10/h2-7H,1H3,(H,17,18,21)
InChIKeyBDNGGFARGSGYQK-UHFFFAOYSA-N
XLogP3.15
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.69
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
CID 1259262
4-chloro-N-(5-chloro-2-pyridinyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 725806
N-(5-chloro-2-pyridinyl)-2-ethyl-3-pyrazolecarboxamide
CID 1084322
N-(5-Chloropyridin-2-yl)pyrazole-3-carboxamide
CID 16667292
N-(5-tert-butyl-2-methylpyrazol-3-yl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carboxamide
CID 56673243
4-bromo-N-(5-chloropyridin-2-yl)-2-ethylpyrazole-3-carboxamide
CID 892191
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloropyridin-2-yl)acetamide
CID 823264
(3E)-1-(3-chloro-2-pyridinyl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea
CID 136124386
2-[3-methyl-5-(pyridin-2-ylamino)pyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 162672441
1-(3-Chlorophenyl)-3-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)urea
CID 9535394
N-(5-chloropyridin-2-yl)-1-ethylpyrazole-3-carboxamide
CID 891614
N-(5-chloropyridin-2-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 1225832

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 45147767) is N-(5-chloro-2-pyridinyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is CC(C(=O)Nc1ccc(Cl)cn1)n1ccc(C(F)(F)F)n1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is BDNGGFARGSGYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N4O/c1-7(20-5-4-9(19-20)12(14,15)16)11(21)18-10-3-2-8(13)6-17-10/h2-7H,1H3,(H,17,18,21).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-(5-chloro-2-pyridinyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 318.69 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 45147767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).