5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid

C14H13F3N4O3 — CID 154893001

IUPAC5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(Nc1cccnc1)c1cc(C2CC2)[nH]n1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H12N4O.C2HF3O2/c17-12(14-9-2-1-5-13-7-9)11-6-10(15-16-11)8-3-4-8;3-2(4,5)1(6)7/h1-2,5-8H,3-4H2,(H,14,17)(H,15,16);(H,6,7)
InChIKeyKDGJDGUVLOAMMX-UHFFFAOYSA-N
MW342.28 g/mol
LogP2.57
Rot. Bonds3

About 5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid

5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 154893001) has the molecular formula C14H13F3N4O3 and a molecular weight of 342.28 g/mol. Its IUPAC name is 5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID154893001
Molecular FormulaC14H13F3N4O3
Molecular Weight342.28 g/mol
Exact Mass342.09
IUPAC Name5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(Nc1cccnc1)c1cc(C2CC2)[nH]n1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H12N4O.C2HF3O2/c17-12(14-9-2-1-5-13-7-9)11-6-10(15-16-11)8-3-4-8;3-2(4,5)1(6)7/h1-2,5-8H,3-4H2,(H,14,17)(H,15,16);(H,6,7)
InChIKeyKDGJDGUVLOAMMX-UHFFFAOYSA-N
XLogP2.57
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 39154401
4-bromo-5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide
CID 47080055
2-[[3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]methylsulfanyl]acetic acid
CID 119240713
3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120541340
3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-5-methylsulfonylbenzoic acid
CID 119257780
5-cyclopropyl-N-[4-(3-methylphenoxy)phenyl]-1H-pyrazole-3-carboxamide
CID 46582218
5-cyclopropyl-N-[phenyl(pyridin-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 74235280
6-cyclopropyl-N-pyridin-3-ylpyridine-3-carboxamide
CID 175906033
2-cyclopropyl-N-pyridin-3-ylquinoline-4-carboxamide
CID 31745720
5-cyclopropyl-N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide
CID 94775965
5-[1-(4-fluorobenzoyl)pyrrolidin-3-yl]-N-phenyl-1H-pyrazole-3-carboxamide
CID 110265042
N-(3-chloro-2-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 40654834

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid (CID 154893001) is 5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid is O=C(Nc1cccnc1)c1cc(C2CC2)[nH]n1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is KDGJDGUVLOAMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O.C2HF3O2/c17-12(14-9-2-1-5-13-7-9)11-6-10(15-16-11)8-3-4-8;3-2(4,5)1(6)7/h1-2,5-8H,3-4H2,(H,14,17)(H,15,16);(H,6,7).
What are the key properties of 5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid?
5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 342.28 g/mol, XLogP of 2.57, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-pyridin-3-yl-1H-pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154893001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).