N-[3-(cyclopentylcarbamoyl)-1-ethylpyrazol-4-yl]-1-(difluoromethyl)-5-methylpyrazole-3-carboxamide

C17H22F2N6O2 — CID 17025340

IUPACN-[3-(cyclopentylcarbamoyl)-1-ethylpyrazol-4-yl]-1-(difluoromethyl)-5-methylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2cc(C)n(C(F)F)n2)c(C(=O)NC2CCCC2)n1
InChIInChI=1S/C17H22F2N6O2/c1-3-24-9-13(14(23-24)16(27)20-11-6-4-5-7-11)21-15(26)12-8-10(2)25(22-12)17(18)19/h8-9,11,17H,3-7H2,1-2H3,(H,20,27)(H,21,26)
InChIKeyXBXUYTZLDQMVNH-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.73
Rot. Bonds6

About N-[3-(cyclopentylcarbamoyl)-1-ethylpyrazol-4-yl]-1-(difluoromethyl)-5-methylpyrazole-3-carboxamide

N-[3-(cyclopentylcarbamoyl)-1-ethylpyrazol-4-yl]-1-(difluoromethyl)-5-methylpyrazole-3-carboxamide (PubChem CID 17025340) has the molecular formula C17H22F2N6O2 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-[3-(cyclopentylcarbamoyl)-1-ethylpyrazol-4-yl]-1-(difluoromethyl)-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopentylcarbamoyl)-1-ethylpyrazol-4-yl]-1-(difluoromethyl)-5-methylpyrazole-3-carboxamide
PubChem CID17025340
Molecular FormulaC17H22F2N6O2
Molecular Weight380.40 g/mol
Exact Mass380.18
IUPAC NameN-[3-(cyclopentylcarbamoyl)-1-ethylpyrazol-4-yl]-1-(difluoromethyl)-5-methylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2cc(C)n(C(F)F)n2)c(C(=O)NC2CCCC2)n1
InChIInChI=1S/C17H22F2N6O2/c1-3-24-9-13(14(23-24)16(27)20-11-6-4-5-7-11)21-15(26)12-8-10(2)25(22-12)17(18)19/h8-9,11,17H,3-7H2,1-2H3,(H,20,27)(H,21,26)
InChIKeyXBXUYTZLDQMVNH-UHFFFAOYSA-N
XLogP2.73
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopentylcarbamoyl)-1-ethylpyrazol-4-yl]-1-(difluoromethyl)-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-[3-(cyclopentylcarbamoyl)-1-ethylpyrazol-4-yl]-1-(difluoromethyl)-5-methylpyrazole-3-carboxamide (CID 17025340) is N-[3-(cyclopentylcarbamoyl)-1-ethylpyrazol-4-yl]-1-(difluoromethyl)-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(cyclopentylcarbamoyl)-1-ethylpyrazol-4-yl]-1-(difluoromethyl)-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-(cyclopentylcarbamoyl)-1-ethylpyrazol-4-yl]-1-(difluoromethyl)-5-methylpyrazole-3-carboxamide is CCn1cc(NC(=O)c2cc(C)n(C(F)F)n2)c(C(=O)NC2CCCC2)n1.
What is the InChIKey of N-[3-(cyclopentylcarbamoyl)-1-ethylpyrazol-4-yl]-1-(difluoromethyl)-5-methylpyrazole-3-carboxamide?
The InChIKey is XBXUYTZLDQMVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N6O2/c1-3-24-9-13(14(23-24)16(27)20-11-6-4-5-7-11)21-15(26)12-8-10(2)25(22-12)17(18)19/h8-9,11,17H,3-7H2,1-2H3,(H,20,27)(H,21,26).
What are the key properties of N-[3-(cyclopentylcarbamoyl)-1-ethylpyrazol-4-yl]-1-(difluoromethyl)-5-methylpyrazole-3-carboxamide?
N-[3-(cyclopentylcarbamoyl)-1-ethylpyrazol-4-yl]-1-(difluoromethyl)-5-methylpyrazole-3-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopentylcarbamoyl)-1-ethylpyrazol-4-yl]-1-(difluoromethyl)-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 17025340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).