N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide

C14H19F3N4O2 — CID 127964699

IUPACN-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCOCC(C)n1ccc(NC(=O)N2CC=C(C(F)(F)F)CC2)n1
InChIInChI=1S/C14H19F3N4O2/c1-10(9-23-2)21-8-5-12(19-21)18-13(22)20-6-3-11(4-7-20)14(15,16)17/h3,5,8,10H,4,6-7,9H2,1-2H3,(H,18,19,22)
InChIKeyYQWRFMCBWIIPKT-UHFFFAOYSA-N
MW332.33 g/mol
LogP2.82
Rot. Bonds4

About N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide

N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 127964699) has the molecular formula C14H19F3N4O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID127964699
Molecular FormulaC14H19F3N4O2
Molecular Weight332.33 g/mol
Exact Mass332.15
IUPAC NameN-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCOCC(C)n1ccc(NC(=O)N2CC=C(C(F)(F)F)CC2)n1
InChIInChI=1S/C14H19F3N4O2/c1-10(9-23-2)21-8-5-12(19-21)18-13(22)20-6-3-11(4-7-20)14(15,16)17/h3,5,8,10H,4,6-7,9H2,1-2H3,(H,18,19,22)
InChIKeyYQWRFMCBWIIPKT-UHFFFAOYSA-N
XLogP2.82
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-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

1-Ethyl-3-[1-(3-methoxypropyl)pyrazol-3-yl]-1-(2-methylprop-2-enyl)urea
CID 72008001
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(2S)-2-morpholin-4-ylpropyl]urea
CID 95788724
1-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-3-(2-ethoxyethyl)urea
CID 97436203
1-Hex-5-en-3-yl-3-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]urea
CID 121588284
4-methyl-N-[2-[(2S)-3-methylbutan-2-yl]pyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 125168659
3-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-2-(trifluoromethyl)morpholine-4-carboxamide
CID 132326219
N-[1-(2-methoxyethyl)pyrazol-3-yl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide
CID 71976482
N-[1-(3-methoxypropyl)pyrazol-3-yl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 72008024
1-[1-(2,2-Difluoroethyl)pyrazol-3-yl]-3-(2-morpholin-4-ylpropyl)urea
CID 72106043
1-Cyclohexyl-1-(2-hydroxyethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea
CID 75477561
2,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]morpholine-4-carboxamide
CID 75499428
1-(2-Hydroxyethyl)-1-propan-2-yl-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea
CID 75521665

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 127964699) is N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is COCC(C)n1ccc(NC(=O)N2CC=C(C(F)(F)F)CC2)n1.
What is the InChIKey of N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is YQWRFMCBWIIPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O2/c1-10(9-23-2)21-8-5-12(19-21)18-13(22)20-6-3-11(4-7-20)14(15,16)17/h3,5,8,10H,4,6-7,9H2,1-2H3,(H,18,19,22).
What are the key properties of N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 332.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 127964699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).