N-[3-(3,5-dimethylpyrazol-1-yl)propyl]azepane-1-carboxamide

C15H26N4O — CID 115575262

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]azepane-1-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)N2CCCCCC2)n1
InChIInChI=1S/C15H26N4O/c1-13-12-14(2)19(17-13)11-7-8-16-15(20)18-9-5-3-4-6-10-18/h12H,3-11H2,1-2H3,(H,16,20)
InChIKeyZEUWGILSHYVQLB-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.48
Rot. Bonds4

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]azepane-1-carboxamide

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]azepane-1-carboxamide (PubChem CID 115575262) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]azepane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]azepane-1-carboxamide
PubChem CID115575262
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]azepane-1-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)N2CCCCCC2)n1
InChIInChI=1S/C15H26N4O/c1-13-12-14(2)19(17-13)11-7-8-16-15(20)18-9-5-3-4-6-10-18/h12H,3-11H2,1-2H3,(H,16,20)
InChIKeyZEUWGILSHYVQLB-UHFFFAOYSA-N
XLogP2.48
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894833
1-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-N-propylpiperidine-1,4-dicarboxamide
CID 86999451
4-[2-(diethylamino)-2-oxoethyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,4-diazepane-1-carboxamide
CID 86999458
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine
CID 111278679
4-(2,4-dichlorobenzoyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperazine-1-carboxamide
CID 78888150
(3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 126436509
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 119064710
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 115571202
1-cyclohexyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 19575124
1-butyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 19332430
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111426633

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]azepane-1-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]azepane-1-carboxamide (CID 115575262) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]azepane-1-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]azepane-1-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]azepane-1-carboxamide is Cc1cc(C)n(CCCNC(=O)N2CCCCCC2)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]azepane-1-carboxamide?
The InChIKey is ZEUWGILSHYVQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-13-12-14(2)19(17-13)11-7-8-16-15(20)18-9-5-3-4-6-10-18/h12H,3-11H2,1-2H3,(H,16,20).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]azepane-1-carboxamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]azepane-1-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]azepane-1-carboxamide is sourced from PubChem (CID 115575262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).