N-[(2-methoxyphenyl)methyl]-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole-5-carboxamide

C17H19F3N4O2 — CID 69095063

IUPACN-[(2-methoxyphenyl)methyl]-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(C(F)(F)F)nn1C1CCNC1
InChIInChI=1S/C17H19F3N4O2/c1-26-14-5-3-2-4-11(14)9-22-16(25)13-8-15(17(18,19)20)23-24(13)12-6-7-21-10-12/h2-5,8,12,21H,6-7,9-10H2,1H3,(H,22,25)
InChIKeyBUPXTOLNAOOABV-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.37
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[(2-methoxyphenyl)methyl]-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 69095063) has the molecular formula C17H19F3N4O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID69095063
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(C(F)(F)F)nn1C1CCNC1
InChIInChI=1S/C17H19F3N4O2/c1-26-14-5-3-2-4-11(14)9-22-16(25)13-8-15(17(18,19)20)23-24(13)12-6-7-21-10-12/h2-5,8,12,21H,6-7,9-10H2,1H3,(H,22,25)
InChIKeyBUPXTOLNAOOABV-UHFFFAOYSA-N
XLogP2.37
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[4-[5-[(2-ethoxyphenyl)methylcarbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]-N-methylcarbamate
CID 59843228
1-(3-formylphenyl)-N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 59843290
N-[(2-methoxyphenyl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 3662930
1-[1-[2-(methylamino)ethyl]piperidin-4-yl]-N-[[2-(methylamino)phenyl]methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 69299506
N-[(2-methoxynaphthalen-1-yl)methyl]-1-[1-[2-(methylamino)ethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 25213241
5-methyl-1-piperidin-4-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide
CID 119697678
1-[5-[(2-aminopropanoylamino)methyl]thiophen-2-yl]-N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 69299677
N-[(2-methoxyphenyl)methyl]-1-[3-[[2-(methylamino)ethylamino]methyl]-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 46879424
1-[4-[(2-aminopropanoylamino)methyl]-2-pyridinyl]-N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 25216417
4-bromo-1-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyrrole-2-carboxamide
CID 43640775
3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9404708
N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 2713294

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 69095063) is N-[(2-methoxyphenyl)methyl]-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole-5-carboxamide is COc1ccccc1CNC(=O)c1cc(C(F)(F)F)nn1C1CCNC1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is BUPXTOLNAOOABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O2/c1-26-14-5-3-2-4-11(14)9-22-16(25)13-8-15(17(18,19)20)23-24(13)12-6-7-21-10-12/h2-5,8,12,21H,6-7,9-10H2,1H3,(H,22,25).
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[(2-methoxyphenyl)methyl]-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 368.36 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 69095063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).