N-(3-cyclohexyloxypropyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide

C18H24N4O2 — CID 74233551

IUPACN-(3-cyclohexyloxypropyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
SMILESO=C(NCCCOC1CCCCC1)c1cc(-c2ccccn2)n[nH]1
InChIInChI=1S/C18H24N4O2/c23-18(20-11-6-12-24-14-7-2-1-3-8-14)17-13-16(21-22-17)15-9-4-5-10-19-15/h4-5,9-10,13-14H,1-3,6-8,11-12H2,(H,20,23)(H,21,22)
InChIKeyOHOLCSTVHCPCJT-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.94
Rot. Bonds7

About N-(3-cyclohexyloxypropyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide

N-(3-cyclohexyloxypropyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 74233551) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
PubChem CID74233551
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-(3-cyclohexyloxypropyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
SMILESO=C(NCCCOC1CCCCC1)c1cc(-c2ccccn2)n[nH]1
InChIInChI=1S/C18H24N4O2/c23-18(20-11-6-12-24-14-7-2-1-3-8-14)17-13-16(21-22-17)15-9-4-5-10-19-15/h4-5,9-10,13-14H,1-3,6-8,11-12H2,(H,20,23)(H,21,22)
InChIKeyOHOLCSTVHCPCJT-UHFFFAOYSA-N
XLogP2.94
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-cyclohexyloxypropylcarbamoyl)pyridine-4-carboxylic acid
CID 122055071
N-(3-cyclohexyloxypropyl)-4-fluorobenzamide
CID 60668652
N-[3-(1H-benzimidazol-2-yl)propyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 71827608
3-pyridin-2-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)-1H-pyrazole-5-carboxamide
CID 74249644
N-(3-cyclohexyloxypropyl)-3-(1H-pyrazol-4-yl)benzamide
CID 74240489
N-(3-cyclohexyloxypropyl)-2-(1H-1,2,4-triazol-5-yl)benzamide
CID 74240570
N-benzyl-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46352032
2-(2-cyclohexyloxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 63828189
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 110204460
N-[3-[2-(3-cyclohexyloxypropylamino)-2-oxoethoxy]phenyl]benzamide
CID 78902869
3-hydroxy-N-(3-piperidin-4-yloxypropyl)pyridine-2-carboxamide
CID 63870452
N-(2-imidazol-1-ylethyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 127254613

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide (CID 74233551) is N-(3-cyclohexyloxypropyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide is O=C(NCCCOC1CCCCC1)c1cc(-c2ccccn2)n[nH]1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The InChIKey is OHOLCSTVHCPCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-18(20-11-6-12-24-14-7-2-1-3-8-14)17-13-16(21-22-17)15-9-4-5-10-19-15/h4-5,9-10,13-14H,1-3,6-8,11-12H2,(H,20,23)(H,21,22).
What are the key properties of N-(3-cyclohexyloxypropyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
N-(3-cyclohexyloxypropyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 74233551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).