N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride

C14H16ClF3N4O — CID 119504404

IUPACN-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride
SMILESCNCCNC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1.Cl
InChIInChI=1S/C14H15F3N4O.ClH/c1-18-6-7-19-13(22)12-5-8-21(20-12)11-4-2-3-10(9-11)14(15,16)17;/h2-5,8-9,18H,6-7H2,1H3,(H,19,22);1H
InChIKeyPVUDILMVCJKKLC-UHFFFAOYSA-N
MW348.76 g/mol
LogP2.26
Rot. Bonds5

About N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride

N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride (PubChem CID 119504404) has the molecular formula C14H16ClF3N4O and a molecular weight of 348.76 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride
PubChem CID119504404
Molecular FormulaC14H16ClF3N4O
Molecular Weight348.76 g/mol
Exact Mass348.10
IUPAC NameN-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride
SMILESCNCCNC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1.Cl
InChIInChI=1S/C14H15F3N4O.ClH/c1-18-6-7-19-13(22)12-5-8-21(20-12)11-4-2-3-10(9-11)14(15,16)17;/h2-5,8-9,18H,6-7H2,1H3,(H,19,22);1H
InChIKeyPVUDILMVCJKKLC-UHFFFAOYSA-N
XLogP2.26
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.76
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 119504405
N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119500898
1-(3-bromophenyl)-N-[3-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride
CID 119434260
(2S)-4-methyl-2-[[1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]amino]pentanoic acid
CID 119360865
N-[(3-carbamoylazetidin-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 167745262
3-methyl-2-[[1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]amino]pentanoic acid
CID 119211933
N-(1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 56793948
N-(2-methylpiperidin-3-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride
CID 120573393
1-(3-aminophenyl)-N-propylpyrazole-3-carboxamide
CID 43475405
2-[4-[[1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]amino]oxan-4-yl]acetic acid
CID 119215328
N-ethyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 100819634
N-(3-aminobutyl)-1-(3-bromophenyl)pyrazole-3-carboxamide;hydrochloride
CID 119499693

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride (CID 119504404) is N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride is CNCCNC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1.Cl.
What is the InChIKey of N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride?
The InChIKey is PVUDILMVCJKKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O.ClH/c1-18-6-7-19-13(22)12-5-8-21(20-12)11-4-2-3-10(9-11)14(15,16)17;/h2-5,8-9,18H,6-7H2,1H3,(H,19,22);1H.
What are the key properties of N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride?
N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride has a molecular weight of 348.76 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119504404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).