N-[2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]-1H-pyrazole-5-carboxamide

C13H19F3N4O — CID 129381594

IUPACN-[2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCCN[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccn[nH]1
InChIInChI=1S/C13H19F3N4O/c14-13(15,16)9-2-1-3-10(8-9)17-6-7-18-12(21)11-4-5-19-20-11/h4-5,9-10,17H,1-3,6-8H2,(H,18,21)(H,19,20)/t9-,10-/m1/s1
InChIKeyLHQFJPHCEPHVEM-NXEZZACHSA-N
MW304.32 g/mol
LogP1.85
Rot. Bonds5

About N-[2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]-1H-pyrazole-5-carboxamide

N-[2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 129381594) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is N-[2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]-1H-pyrazole-5-carboxamide
PubChem CID129381594
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC NameN-[2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCCN[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccn[nH]1
InChIInChI=1S/C13H19F3N4O/c14-13(15,16)9-2-1-3-10(8-9)17-6-7-18-12(21)11-4-5-19-20-11/h4-5,9-10,17H,1-3,6-8H2,(H,18,21)(H,19,20)/t9-,10-/m1/s1
InChIKeyLHQFJPHCEPHVEM-NXEZZACHSA-N
XLogP1.85
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]-1H-pyrazole-5-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~3~-isobutyl-1H-pyrazole-3-carboxamide
CID 53017403
N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
CID 580065
1H-Pyrazole-3-carboxylic acid (methyl)(1,2,2,6,6-pentamethylpiperidin-4-yl)amide
CID 672567
N-(4,4-difluorocyclohexyl)-1H-pyrazole-5-carboxamide
CID 121021903
N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide
CID 162479487
N-(2-methylpentan-2-yl)-1H-pyrazole-3-carboxamide
CID 53538100
1H-pyrazol-5-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 42959182
N-[3-(cyclohexylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide
CID 47342569
N-[3-(2-methylpiperidin-1-yl)propyl]-1H-pyrazole-5-carboxamide
CID 53524109
2-methyl-N-[2-(1H-pyrazole-5-carbonylamino)ethyl]piperidine-1-carboxamide
CID 86785517
[(3R)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 97588991
N-[(5S)-5-(1H-pyrazole-5-carbonylamino)hexyl]-1H-pyrazole-5-carboxamide
CID 125531969

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]-1H-pyrazole-5-carboxamide (CID 129381594) is N-[2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]-1H-pyrazole-5-carboxamide is O=C(NCCN[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccn[nH]1.
What is the InChIKey of N-[2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is LHQFJPHCEPHVEM-NXEZZACHSA-N. The full InChI is InChI=1S/C13H19F3N4O/c14-13(15,16)9-2-1-3-10(8-9)17-6-7-18-12(21)11-4-5-19-20-11/h4-5,9-10,17H,1-3,6-8H2,(H,18,21)(H,19,20)/t9-,10-/m1/s1.
What are the key properties of N-[2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]-1H-pyrazole-5-carboxamide?
N-[2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 129381594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).