4-(dimethylamino)-N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide

C14H16F3N5O — CID 99831552

IUPAC4-(dimethylamino)-N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide
SMILESCc1c(C(F)(F)F)nn(C)c1NC(=O)c1cc(N(C)C)ccn1
InChIInChI=1S/C14H16F3N5O/c1-8-11(14(15,16)17)20-22(4)12(8)19-13(23)10-7-9(21(2)3)5-6-18-10/h5-7H,1-4H3,(H,19,23)
InChIKeyXPDKYGLNHBFVGS-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.46
Rot. Bonds3

About 4-(dimethylamino)-N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide

4-(dimethylamino)-N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide (PubChem CID 99831552) has the molecular formula C14H16F3N5O and a molecular weight of 327.31 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide
PubChem CID99831552
Molecular FormulaC14H16F3N5O
Molecular Weight327.31 g/mol
Exact Mass327.13
IUPAC Name4-(dimethylamino)-N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide
SMILESCc1c(C(F)(F)F)nn(C)c1NC(=O)c1cc(N(C)C)ccn1
InChIInChI=1S/C14H16F3N5O/c1-8-11(14(15,16)17)20-22(4)12(8)19-13(23)10-7-9(21(2)3)5-6-18-10/h5-7H,1-4H3,(H,19,23)
InChIKeyXPDKYGLNHBFVGS-UHFFFAOYSA-N
XLogP2.46
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(dimethylamino)-N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-acetamido-4,5-difluorophenyl)-4-(dimethylamino)pyridine-2-carboxamide
CID 86801237
1-[4-(dimethylamino)-2-pyridinyl]ethanone
CID 58420853
4-(dimethylamino)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 86801220
N-[1-(2-chlorophenyl)pyrazol-3-yl]-4-(dimethylamino)pyridine-2-carboxamide
CID 154750641
N-(2-aminosulfanyl-4-pyridinyl)-1,4-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 166528595
4-(diethylamino)-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
CID 109216518
N-(5-acetyl-2-chlorophenyl)-4-(dimethylamino)pyridine-2-carboxamide
CID 99828836
1-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]urea
CID 138028291
N-[4-(diethylamino)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide
CID 109219474
3-[3-[[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]carbamoylamino]phenyl]propanoic acid
CID 122089961
4-[benzyl(ethyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109212643
N-[4-(dimethylamino)phenyl]-4-(3,5-dimethylanilino)pyridine-2-carboxamide
CID 109219981

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 4-(dimethylamino)-N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide (CID 99831552) is 4-(dimethylamino)-N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(dimethylamino)-N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-(dimethylamino)-N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide is Cc1c(C(F)(F)F)nn(C)c1NC(=O)c1cc(N(C)C)ccn1.
What is the InChIKey of 4-(dimethylamino)-N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide?
The InChIKey is XPDKYGLNHBFVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O/c1-8-11(14(15,16)17)20-22(4)12(8)19-13(23)10-7-9(21(2)3)5-6-18-10/h5-7H,1-4H3,(H,19,23).
What are the key properties of 4-(dimethylamino)-N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide?
4-(dimethylamino)-N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide has a molecular weight of 327.31 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 99831552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).