N,N-dimethyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide

C17H20F3N5O — CID 118450657

IUPACN,N-dimethyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(c2cnccc2-n2cc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C17H20F3N5O/c1-23(2)16(26)12-4-7-24(8-5-12)15-10-21-6-3-14(15)25-11-13(9-22-25)17(18,19)20/h3,6,9-12H,4-5,7-8H2,1-2H3
InChIKeyVLYBCNJDTCDXAV-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.59
Rot. Bonds3

About N,N-dimethyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide

N,N-dimethyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide (PubChem CID 118450657) has the molecular formula C17H20F3N5O and a molecular weight of 367.38 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide
PubChem CID118450657
Molecular FormulaC17H20F3N5O
Molecular Weight367.38 g/mol
Exact Mass367.16
IUPAC NameN,N-dimethyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(c2cnccc2-n2cc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C17H20F3N5O/c1-23(2)16(26)12-4-7-24(8-5-12)15-10-21-6-3-14(15)25-11-13(9-22-25)17(18,19)20/h3,6,9-12H,4-5,7-8H2,1-2H3
InChIKeyVLYBCNJDTCDXAV-UHFFFAOYSA-N
XLogP2.59
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Emraclidine
CID 140830653
Cholesterol 24-hydroxylase-IN-1
CID 118450616
1-(4-(4-cyclopropyl-1H-pyrazol-1-yl)pyridin-3-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 118450464
N,N-dimethyl-1-(4-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide
CID 118450716
1-(4-(4-bromo-1H-pyrazol-1-yl)pyridin-3-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 118450728
1-(4-(4-chloro-1H-pyrazol-1-yl)pyridin-3-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 118450730
N-(4-pyrazol-1-ylphenyl)-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 24791954
1-{1-[3-(1H-pyrazol-1-yl)propanoyl]-3-piperidinyl}-4-[3-(trifluoromethyl)phenyl]piperazine
CID 24817364
N,N-dimethyl-1-[4-(3-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide
CID 118450576
1-[1-[(3-methylpyridin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71533186
1-[1-[(2,4-difluorophenyl)methyl]-3-[4-(trifluoromethyl)pyridin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71533189
US9963443, Reference Example 5
CID 76283990

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N,N-dimethyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide (CID 118450657) is N,N-dimethyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide is CN(C)C(=O)C1CCN(c2cnccc2-n2cc(C(F)(F)F)cn2)CC1.
What is the InChIKey of N,N-dimethyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide?
The InChIKey is VLYBCNJDTCDXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O/c1-23(2)16(26)12-4-7-24(8-5-12)15-10-21-6-3-14(15)25-11-13(9-22-25)17(18,19)20/h3,6,9-12H,4-5,7-8H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide?
N,N-dimethyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 118450657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).