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

C26H29ClN4O — CID 90556044

IUPAC1-(4-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide
SMILESO=C(NCc1cc(-c2ccccn2)n(C2CCCC2)n1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C26H29ClN4O/c27-20-12-10-19(11-13-20)26(14-4-5-15-26)25(32)29-18-21-17-24(23-9-3-6-16-28-23)31(30-21)22-7-1-2-8-22/h3,6,9-13,16-17,22H,1-2,4-5,7-8,14-15,18H2,(H,29,32)
InChIKeyFYGHKTDKVZKDCE-UHFFFAOYSA-N
MW449.00 g/mol
LogP5.84
Rot. Bonds6

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

1-(4-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide (PubChem CID 90556044) has the molecular formula C26H29ClN4O and a molecular weight of 449.00 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide
PubChem CID90556044
Molecular FormulaC26H29ClN4O
Molecular Weight449.00 g/mol
Exact Mass448.20
IUPAC Name1-(4-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide
SMILESO=C(NCc1cc(-c2ccccn2)n(C2CCCC2)n1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C26H29ClN4O/c27-20-12-10-19(11-13-20)26(14-4-5-15-26)25(32)29-18-21-17-24(23-9-3-6-16-28-23)31(30-21)22-7-1-2-8-22/h3,6,9-13,16-17,22H,1-2,4-5,7-8,14-15,18H2,(H,29,32)
InChIKeyFYGHKTDKVZKDCE-UHFFFAOYSA-N
XLogP5.84
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.00
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide (CID 90556044) is 1-(4-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide is O=C(NCc1cc(-c2ccccn2)n(C2CCCC2)n1)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide?
The InChIKey is FYGHKTDKVZKDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O/c27-20-12-10-19(11-13-20)26(14-4-5-15-26)25(32)29-18-21-17-24(23-9-3-6-16-28-23)31(30-21)22-7-1-2-8-22/h3,6,9-13,16-17,22H,1-2,4-5,7-8,14-15,18H2,(H,29,32).
What are the key properties of 1-(4-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide?
1-(4-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide has a molecular weight of 449.00 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 90556044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).