2-cyclopentyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide

C21H21FN4O — CID 18673988

IUPAC2-cyclopentyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide
SMILESO=C(CC1CCCC1)Nc1n[nH]c(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C21H21FN4O/c22-17-7-5-16(6-8-17)20-19(15-9-11-23-12-10-15)21(26-25-20)24-18(27)13-14-3-1-2-4-14/h5-12,14H,1-4,13H2,(H2,24,25,26,27)
InChIKeyFWAGWPGNLGHGKD-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.80
Rot. Bonds5

About 2-cyclopentyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide

2-cyclopentyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide (PubChem CID 18673988) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 2-cyclopentyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide
PubChem CID18673988
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name2-cyclopentyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide
SMILESO=C(CC1CCCC1)Nc1n[nH]c(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C21H21FN4O/c22-17-7-5-16(6-8-17)20-19(15-9-11-23-12-10-15)21(26-25-20)24-18(27)13-14-3-1-2-4-14/h5-12,14H,1-4,13H2,(H2,24,25,26,27)
InChIKeyFWAGWPGNLGHGKD-UHFFFAOYSA-N
XLogP4.80
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide (CID 18673988) is 2-cyclopentyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide is O=C(CC1CCCC1)Nc1n[nH]c(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 2-cyclopentyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide?
The InChIKey is FWAGWPGNLGHGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c22-17-7-5-16(6-8-17)20-19(15-9-11-23-12-10-15)21(26-25-20)24-18(27)13-14-3-1-2-4-14/h5-12,14H,1-4,13H2,(H2,24,25,26,27).
What are the key properties of 2-cyclopentyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide?
2-cyclopentyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide has a molecular weight of 364.42 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 18673988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).