N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide

C22H21F3N4O2 — CID 71797590

IUPACN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C22H21F3N4O2/c23-22(24,25)31-19-7-5-16(6-8-19)21(30)27-14-17-13-20(15-9-11-26-12-10-15)29(28-17)18-3-1-2-4-18/h5-13,18H,1-4,14H2,(H,27,30)
InChIKeyNQQBEALUIJLBIH-UHFFFAOYSA-N
MW430.43 g/mol
LogP4.89
Rot. Bonds6

About N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide

N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide (PubChem CID 71797590) has the molecular formula C22H21F3N4O2 and a molecular weight of 430.43 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide
PubChem CID71797590
Molecular FormulaC22H21F3N4O2
Molecular Weight430.43 g/mol
Exact Mass430.16
IUPAC NameN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C22H21F3N4O2/c23-22(24,25)31-19-7-5-16(6-8-19)21(30)27-14-17-13-20(15-9-11-26-12-10-15)29(28-17)18-3-1-2-4-18/h5-13,18H,1-4,14H2,(H,27,30)
InChIKeyNQQBEALUIJLBIH-UHFFFAOYSA-N
XLogP4.89
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide (CID 71797590) is N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide is O=C(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is NQQBEALUIJLBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O2/c23-22(24,25)31-19-7-5-16(6-8-19)21(30)27-14-17-13-20(15-9-11-26-12-10-15)29(28-17)18-3-1-2-4-18/h5-13,18H,1-4,14H2,(H,27,30).
What are the key properties of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide?
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 430.43 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 71797590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).