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

C17H23F3N6O — CID 169262909

IUPACN-[1-[3-(cyclopentylamino)-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc(C(F)(F)F)nn1C)c1cc(NC2CCCC2)nn1C
InChIInChI=1S/C17H23F3N6O/c1-10(12-9-15(24-25(12)2)22-11-6-4-5-7-11)21-16(27)13-8-14(17(18,19)20)23-26(13)3/h8-11H,4-7H2,1-3H3,(H,21,27)(H,22,24)
InChIKeyCBDNHUZXSDZBON-UHFFFAOYSA-N
MW384.41 g/mol
LogP3.02
Rot. Bonds5

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

N-[1-[3-(cyclopentylamino)-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 169262909) has the molecular formula C17H23F3N6O and a molecular weight of 384.41 g/mol. Its IUPAC name is N-[1-[3-(cyclopentylamino)-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(cyclopentylamino)-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID169262909
Molecular FormulaC17H23F3N6O
Molecular Weight384.41 g/mol
Exact Mass384.19
IUPAC NameN-[1-[3-(cyclopentylamino)-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc(C(F)(F)F)nn1C)c1cc(NC2CCCC2)nn1C
InChIInChI=1S/C17H23F3N6O/c1-10(12-9-15(24-25(12)2)22-11-6-4-5-7-11)21-16(27)13-8-14(17(18,19)20)23-26(13)3/h8-11H,4-7H2,1-3H3,(H,21,27)(H,22,24)
InChIKeyCBDNHUZXSDZBON-UHFFFAOYSA-N
XLogP3.02
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(cyclopentylamino)-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[1-[3-(cyclopentylamino)-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 169262909) is N-[1-[3-(cyclopentylamino)-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-[3-(cyclopentylamino)-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[1-[3-(cyclopentylamino)-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is CC(NC(=O)c1cc(C(F)(F)F)nn1C)c1cc(NC2CCCC2)nn1C.
What is the InChIKey of N-[1-[3-(cyclopentylamino)-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is CBDNHUZXSDZBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N6O/c1-10(12-9-15(24-25(12)2)22-11-6-4-5-7-11)21-16(27)13-8-14(17(18,19)20)23-26(13)3/h8-11H,4-7H2,1-3H3,(H,21,27)(H,22,24).
What are the key properties of N-[1-[3-(cyclopentylamino)-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[1-[3-(cyclopentylamino)-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 384.41 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(cyclopentylamino)-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 169262909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).