3-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-methyl-2H-pyridine-3-carboxamide

C19H18F3N5O — CID 142790235

IUPAC3-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-methyl-2H-pyridine-3-carboxamide
SMILESCC1N=CC=CC1(C(N)=O)c1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1
InChIInChI=1S/C19H18F3N5O/c1-11-18(17(23)28,7-2-8-24-11)13-5-6-16(25-10-13)27-14(12-3-4-12)9-15(26-27)19(20,21)22/h2,5-12H,3-4H2,1H3,(H2,23,28)
InChIKeyIZQYYQGGBOSCNU-UHFFFAOYSA-N
MW389.38 g/mol
LogP2.92
Rot. Bonds4

About 3-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-methyl-2H-pyridine-3-carboxamide

3-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-methyl-2H-pyridine-3-carboxamide (PubChem CID 142790235) has the molecular formula C19H18F3N5O and a molecular weight of 389.38 g/mol. Its IUPAC name is 3-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-methyl-2H-pyridine-3-carboxamide.

Molecular Properties

Compound Name3-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-methyl-2H-pyridine-3-carboxamide
PubChem CID142790235
Molecular FormulaC19H18F3N5O
Molecular Weight389.38 g/mol
Exact Mass389.15
IUPAC Name3-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-methyl-2H-pyridine-3-carboxamide
SMILESCC1N=CC=CC1(C(N)=O)c1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1
InChIInChI=1S/C19H18F3N5O/c1-11-18(17(23)28,7-2-8-24-11)13-5-6-16(25-10-13)27-14(12-3-4-12)9-15(26-27)19(20,21)22/h2,5-12H,3-4H2,1H3,(H2,23,28)
InChIKeyIZQYYQGGBOSCNU-UHFFFAOYSA-N
XLogP2.92
TPSA86.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-methyl-2H-pyridine-3-carboxamide?
The IUPAC name of 3-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-methyl-2H-pyridine-3-carboxamide (CID 142790235) is 3-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-methyl-2H-pyridine-3-carboxamide.
What is the SMILES notation for 3-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-methyl-2H-pyridine-3-carboxamide?
The canonical SMILES for 3-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-methyl-2H-pyridine-3-carboxamide is CC1N=CC=CC1(C(N)=O)c1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1.
What is the InChIKey of 3-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-methyl-2H-pyridine-3-carboxamide?
The InChIKey is IZQYYQGGBOSCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O/c1-11-18(17(23)28,7-2-8-24-11)13-5-6-16(25-10-13)27-14(12-3-4-12)9-15(26-27)19(20,21)22/h2,5-12H,3-4H2,1H3,(H2,23,28).
What are the key properties of 3-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-methyl-2H-pyridine-3-carboxamide?
3-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-methyl-2H-pyridine-3-carboxamide has a molecular weight of 389.38 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-methyl-2H-pyridine-3-carboxamide is sourced from PubChem (CID 142790235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).