N-(1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

C14H10F3N5O — CID 56793948

IUPACN-(1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccn[nH]1)c1ccn(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H10F3N5O/c15-14(16,17)9-2-1-3-10(8-9)22-7-5-11(21-22)13(23)19-12-4-6-18-20-12/h1-8H,(H2,18,19,20,23)
InChIKeyJQQVDNJERBAEEX-UHFFFAOYSA-N
MW321.26 g/mol
LogP2.87
Rot. Bonds3

About N-(1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

N-(1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (PubChem CID 56793948) has the molecular formula C14H10F3N5O and a molecular weight of 321.26 g/mol. Its IUPAC name is N-(1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
PubChem CID56793948
Molecular FormulaC14H10F3N5O
Molecular Weight321.26 g/mol
Exact Mass321.08
IUPAC NameN-(1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccn[nH]1)c1ccn(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H10F3N5O/c15-14(16,17)9-2-1-3-10(8-9)22-7-5-11(21-22)13(23)19-12-4-6-18-20-12/h1-8H,(H2,18,19,20,23)
InChIKeyJQQVDNJERBAEEX-UHFFFAOYSA-N
XLogP2.87
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminophenyl)-N-(1H-pyrazol-5-yl)pyrazole-3-carboxamide
CID 61393305
1-phenyl-N-(1H-pyrazol-5-yl)pyrazole-3-carboxamide
CID 60579971
N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 119504405
N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride
CID 119504404
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 102557711
(2S)-4-methyl-2-[[1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]amino]pentanoic acid
CID 119360865
N-[(3-carbamoylazetidin-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 167745262
3-methyl-2-[[1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]amino]pentanoic acid
CID 119211933
N-(2-methylpiperidin-3-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride
CID 120573393
2-[4-[[1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]amino]oxan-4-yl]acetic acid
CID 119215328
4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 59436157
(4-aminopiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone;hydrochloride
CID 119376941

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of N-(1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (CID 56793948) is N-(1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is O=C(Nc1ccn[nH]1)c1ccn(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-(1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is JQQVDNJERBAEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O/c15-14(16,17)9-2-1-3-10(8-9)22-7-5-11(21-22)13(23)19-12-4-6-18-20-12/h1-8H,(H2,18,19,20,23).
What are the key properties of N-(1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
N-(1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 321.26 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 56793948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).