N-[1-[3-[cyclopentyl(methyl)amino]-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C18H25F3N6O — CID 169262863

IUPACN-[1-[3-[cyclopentyl(methyl)amino]-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc(C(F)(F)F)nn1C)c1cc(N(C)C2CCCC2)nn1C
InChIInChI=1S/C18H25F3N6O/c1-11(22-17(28)14-9-15(18(19,20)21)23-27(14)4)13-10-16(24-26(13)3)25(2)12-7-5-6-8-12/h9-12H,5-8H2,1-4H3,(H,22,28)
InChIKeyMWFMNPRCLBYQNN-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.04
Rot. Bonds5

About N-[1-[3-[cyclopentyl(methyl)amino]-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[1-[3-[cyclopentyl(methyl)amino]-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 169262863) has the molecular formula C18H25F3N6O and a molecular weight of 398.43 g/mol. Its IUPAC name is N-[1-[3-[cyclopentyl(methyl)amino]-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[3-[cyclopentyl(methyl)amino]-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID169262863
Molecular FormulaC18H25F3N6O
Molecular Weight398.43 g/mol
Exact Mass398.20
IUPAC NameN-[1-[3-[cyclopentyl(methyl)amino]-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc(C(F)(F)F)nn1C)c1cc(N(C)C2CCCC2)nn1C
InChIInChI=1S/C18H25F3N6O/c1-11(22-17(28)14-9-15(18(19,20)21)23-27(14)4)13-10-16(24-26(13)3)25(2)12-7-5-6-8-12/h9-12H,5-8H2,1-4H3,(H,22,28)
InChIKeyMWFMNPRCLBYQNN-UHFFFAOYSA-N
XLogP3.04
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[cyclopentyl(methyl)amino]-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[1-[3-[cyclopentyl(methyl)amino]-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 169262863) is N-[1-[3-[cyclopentyl(methyl)amino]-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-[3-[cyclopentyl(methyl)amino]-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[1-[3-[cyclopentyl(methyl)amino]-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is CC(NC(=O)c1cc(C(F)(F)F)nn1C)c1cc(N(C)C2CCCC2)nn1C.
What is the InChIKey of N-[1-[3-[cyclopentyl(methyl)amino]-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is MWFMNPRCLBYQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N6O/c1-11(22-17(28)14-9-15(18(19,20)21)23-27(14)4)13-10-16(24-26(13)3)25(2)12-7-5-6-8-12/h9-12H,5-8H2,1-4H3,(H,22,28).
What are the key properties of N-[1-[3-[cyclopentyl(methyl)amino]-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[1-[3-[cyclopentyl(methyl)amino]-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 398.43 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[cyclopentyl(methyl)amino]-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 169262863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).