1-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]pyrazole-3-carboxamide

C14H14F3N5O — CID 171993697

IUPAC1-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC2CN(c3ccc(C(F)(F)F)cn3)C2)n1
InChIInChI=1S/C14H14F3N5O/c1-21-5-4-11(20-21)13(23)19-10-7-22(8-10)12-3-2-9(6-18-12)14(15,16)17/h2-6,10H,7-8H2,1H3,(H,19,23)
InChIKeyMIRWBNFIMYZDPH-UHFFFAOYSA-N
MW325.29 g/mol
LogP1.45
Rot. Bonds3

About 1-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]pyrazole-3-carboxamide

1-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]pyrazole-3-carboxamide (PubChem CID 171993697) has the molecular formula C14H14F3N5O and a molecular weight of 325.29 g/mol. Its IUPAC name is 1-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]pyrazole-3-carboxamide
PubChem CID171993697
Molecular FormulaC14H14F3N5O
Molecular Weight325.29 g/mol
Exact Mass325.12
IUPAC Name1-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC2CN(c3ccc(C(F)(F)F)cn3)C2)n1
InChIInChI=1S/C14H14F3N5O/c1-21-5-4-11(20-21)13(23)19-10-7-22(8-10)12-3-2-9(6-18-12)14(15,16)17/h2-6,10H,7-8H2,1H3,(H,19,23)
InChIKeyMIRWBNFIMYZDPH-UHFFFAOYSA-N
XLogP1.45
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171993788
4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142844
1-methyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]pyrazole-3-carboxamide
CID 171993484
N-[1-(7-bromoquinolin-2-yl)azetidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171997574
N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide
CID 47282597
2-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142573
4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46475049
2,2-dimethyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 124760927
6-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-2-carboxamide
CID 46465991
4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 63721228
1-(2-chlorophenyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]urea
CID 10044700
N-tert-butyl-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-3-carboxamide
CID 165434491

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]pyrazole-3-carboxamide (CID 171993697) is 1-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]pyrazole-3-carboxamide is Cn1ccc(C(=O)NC2CN(c3ccc(C(F)(F)F)cn3)C2)n1.
What is the InChIKey of 1-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is MIRWBNFIMYZDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O/c1-21-5-4-11(20-21)13(23)19-10-7-22(8-10)12-3-2-9(6-18-12)14(15,16)17/h2-6,10H,7-8H2,1H3,(H,19,23).
What are the key properties of 1-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]pyrazole-3-carboxamide?
1-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 325.29 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 171993697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).