N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2,5-dimethylfuran-3-carboxamide

C21H24N4O2 — CID 71797556

IUPACN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCc2cc(-c3ccncc3)n(C3CCCC3)n2)c(C)o1
InChIInChI=1S/C21H24N4O2/c1-14-11-19(15(2)27-14)21(26)23-13-17-12-20(16-7-9-22-10-8-16)25(24-17)18-5-3-4-6-18/h7-12,18H,3-6,13H2,1-2H3,(H,23,26)
InChIKeyKYHDNRGLNSYLRD-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.20
Rot. Bonds5

About N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2,5-dimethylfuran-3-carboxamide

N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 71797556) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID71797556
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCc2cc(-c3ccncc3)n(C3CCCC3)n2)c(C)o1
InChIInChI=1S/C21H24N4O2/c1-14-11-19(15(2)27-14)21(26)23-13-17-12-20(16-7-9-22-10-8-16)25(24-17)18-5-3-4-6-18/h7-12,18H,3-6,13H2,1-2H3,(H,23,26)
InChIKeyKYHDNRGLNSYLRD-UHFFFAOYSA-N
XLogP4.20
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.20
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]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2,5-dimethylfuran-3-carboxamide (CID 71797556) is N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCc2cc(-c3ccncc3)n(C3CCCC3)n2)c(C)o1.
What is the InChIKey of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is KYHDNRGLNSYLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-11-19(15(2)27-14)21(26)23-13-17-12-20(16-7-9-22-10-8-16)25(24-17)18-5-3-4-6-18/h7-12,18H,3-6,13H2,1-2H3,(H,23,26).
What are the key properties of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2,5-dimethylfuran-3-carboxamide?
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 4.20, 5 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]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 71797556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).