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

C21H28N4O — CID 90555260

IUPACN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclohexanecarboxamide
SMILESO=C(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)C1CCCCC1
InChIInChI=1S/C21H28N4O/c26-21(17-6-2-1-3-7-17)23-15-18-14-20(16-10-12-22-13-11-16)25(24-18)19-8-4-5-9-19/h10-14,17,19H,1-9,15H2,(H,23,26)
InChIKeyHXIIFXLOXABCOT-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.26
Rot. Bonds5

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

N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclohexanecarboxamide (PubChem CID 90555260) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclohexanecarboxamide
PubChem CID90555260
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclohexanecarboxamide
SMILESO=C(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)C1CCCCC1
InChIInChI=1S/C21H28N4O/c26-21(17-6-2-1-3-7-17)23-15-18-14-20(16-10-12-22-13-11-16)25(24-18)19-8-4-5-9-19/h10-14,17,19H,1-9,15H2,(H,23,26)
InChIKeyHXIIFXLOXABCOT-UHFFFAOYSA-N
XLogP4.26
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]benzamide
CID 90555288
1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(3,4-dichlorophenyl)urea
CID 90555550
(E)-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 71797562
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 90555343
1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-fluorophenyl)urea
CID 90555522
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclohexanesulfonamide
CID 90555420
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 90555311
(2R)-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-phenylbutanamide
CID 97104829
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-ethoxyphenoxy)acetamide
CID 90555360
1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-phenoxyethyl)urea
CID 90555537
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propan-2-yloxybenzamide
CID 90555323
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-methoxybenzamide
CID 90555283

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclohexanecarboxamide (CID 90555260) is N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclohexanecarboxamide is O=C(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)C1CCCCC1.
What is the InChIKey of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclohexanecarboxamide?
The InChIKey is HXIIFXLOXABCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c26-21(17-6-2-1-3-7-17)23-15-18-14-20(16-10-12-22-13-11-16)25(24-18)19-8-4-5-9-19/h10-14,17,19H,1-9,15H2,(H,23,26).
What are the key properties of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclohexanecarboxamide?
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclohexanecarboxamide has a molecular weight of 352.48 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 90555260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).