N,5-dipentyl-3,4-dihydropyrazole-2-carboxamide

C14H27N3O — CID 67944750

IUPACN,5-dipentyl-3,4-dihydropyrazole-2-carboxamide
SMILESCCCCCNC(=O)N1CCC(CCCCC)=N1
InChIInChI=1S/C14H27N3O/c1-3-5-7-9-13-10-12-17(16-13)14(18)15-11-8-6-4-2/h3-12H2,1-2H3,(H,15,18)
InChIKeyZQYHHGKTYGCNTH-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.53
Rot. Bonds8

About N,5-dipentyl-3,4-dihydropyrazole-2-carboxamide

N,5-dipentyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 67944750) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N,5-dipentyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN,5-dipentyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID67944750
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN,5-dipentyl-3,4-dihydropyrazole-2-carboxamide
SMILESCCCCCNC(=O)N1CCC(CCCCC)=N1
InChIInChI=1S/C14H27N3O/c1-3-5-7-9-13-10-12-17(16-13)14(18)15-11-8-6-4-2/h3-12H2,1-2H3,(H,15,18)
InChIKeyZQYHHGKTYGCNTH-UHFFFAOYSA-N
XLogP3.53
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,5-dipentyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N,5-dipentyl-3,4-dihydropyrazole-2-carboxamide (CID 67944750) is N,5-dipentyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N,5-dipentyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N,5-dipentyl-3,4-dihydropyrazole-2-carboxamide is CCCCCNC(=O)N1CCC(CCCCC)=N1.
What is the InChIKey of N,5-dipentyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is ZQYHHGKTYGCNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-3-5-7-9-13-10-12-17(16-13)14(18)15-11-8-6-4-2/h3-12H2,1-2H3,(H,15,18).
What are the key properties of N,5-dipentyl-3,4-dihydropyrazole-2-carboxamide?
N,5-dipentyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dipentyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 67944750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).