N,3-dimethyl-N-pentyl-1-propylpyrazole-4-carboxamide

C14H25N3O — CID 72912379

IUPACN,3-dimethyl-N-pentyl-1-propylpyrazole-4-carboxamide
SMILESCCCCCN(C)C(=O)c1cn(CCC)nc1C
InChIInChI=1S/C14H25N3O/c1-5-7-8-10-16(4)14(18)13-11-17(9-6-2)15-12(13)3/h11H,5-10H2,1-4H3
InChIKeyVISVMBVENSYDRN-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.86
Rot. Bonds7

About N,3-dimethyl-N-pentyl-1-propylpyrazole-4-carboxamide

N,3-dimethyl-N-pentyl-1-propylpyrazole-4-carboxamide (PubChem CID 72912379) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N,3-dimethyl-N-pentyl-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-pentyl-1-propylpyrazole-4-carboxamide
PubChem CID72912379
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN,3-dimethyl-N-pentyl-1-propylpyrazole-4-carboxamide
SMILESCCCCCN(C)C(=O)c1cn(CCC)nc1C
InChIInChI=1S/C14H25N3O/c1-5-7-8-10-16(4)14(18)13-11-17(9-6-2)15-12(13)3/h11H,5-10H2,1-4H3
InChIKeyVISVMBVENSYDRN-UHFFFAOYSA-N
XLogP2.86
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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,3-dimethyl-N-pentyl-1-propylpyrazole-4-carboxamide?
The IUPAC name of N,3-dimethyl-N-pentyl-1-propylpyrazole-4-carboxamide (CID 72912379) is N,3-dimethyl-N-pentyl-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-pentyl-1-propylpyrazole-4-carboxamide?
The canonical SMILES for N,3-dimethyl-N-pentyl-1-propylpyrazole-4-carboxamide is CCCCCN(C)C(=O)c1cn(CCC)nc1C.
What is the InChIKey of N,3-dimethyl-N-pentyl-1-propylpyrazole-4-carboxamide?
The InChIKey is VISVMBVENSYDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-7-8-10-16(4)14(18)13-11-17(9-6-2)15-12(13)3/h11H,5-10H2,1-4H3.
What are the key properties of N,3-dimethyl-N-pentyl-1-propylpyrazole-4-carboxamide?
N,3-dimethyl-N-pentyl-1-propylpyrazole-4-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-pentyl-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 72912379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).