N-hexyl-3,5-dipropylpyrazole-1-carboxamide

C16H29N3O — CID 134846480

IUPACN-hexyl-3,5-dipropylpyrazole-1-carboxamide
SMILESCCCCCCNC(=O)n1nc(CCC)cc1CCC
InChIInChI=1S/C16H29N3O/c1-4-7-8-9-12-17-16(20)19-15(11-6-3)13-14(18-19)10-5-2/h13H,4-12H2,1-3H3,(H,17,20)
InChIKeyOACIDKYLXZMJJS-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.93
Rot. Bonds9

About N-hexyl-3,5-dipropylpyrazole-1-carboxamide

N-hexyl-3,5-dipropylpyrazole-1-carboxamide (PubChem CID 134846480) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-hexyl-3,5-dipropylpyrazole-1-carboxamide.

Molecular Properties

Compound NameN-hexyl-3,5-dipropylpyrazole-1-carboxamide
PubChem CID134846480
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-hexyl-3,5-dipropylpyrazole-1-carboxamide
SMILESCCCCCCNC(=O)n1nc(CCC)cc1CCC
InChIInChI=1S/C16H29N3O/c1-4-7-8-9-12-17-16(20)19-15(11-6-3)13-14(18-19)10-5-2/h13H,4-12H2,1-3H3,(H,17,20)
InChIKeyOACIDKYLXZMJJS-UHFFFAOYSA-N
XLogP3.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.93
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

3-amino-N-hexylpyrazole-1-carboxamide
CID 134862016
N,N'-diheptyloxamide
CID 3417538
N-(6-formamidohexyl)-3,5-dimethylpyrazole-1-carboxamide
CID 89138940
N-pentyl-2,5-dihydropyrrole-1-carboxamide
CID 3824227
N-pentylpyrazole-1-carboxamide
CID 134846837
1-methyl-3-nonylurea
CID 91937244
3,5-dimethyl-N-(8-oxooctyl)pyrazole-1-carboxamide
CID 88561477
1-methyl-3-(octadecylcarbamoyl)pyrazole-4-carboxylic acid
CID 19496514
N-hexyl-3-oxo-1H-pyrazole-2-carboxamide
CID 134846786
1-N,3-N,5-N-tridodecylbenzene-1,3,5-tricarbothioamide
CID 102100264
N-hexyl-4-propylbenzamide
CID 70894310
3-(1H-imidazol-5-yl)propyl N-octylcarbamate
CID 10564790

Frequently Asked Questions

What is the IUPAC name of N-hexyl-3,5-dipropylpyrazole-1-carboxamide?
The IUPAC name of N-hexyl-3,5-dipropylpyrazole-1-carboxamide (CID 134846480) is N-hexyl-3,5-dipropylpyrazole-1-carboxamide.
What is the SMILES notation for N-hexyl-3,5-dipropylpyrazole-1-carboxamide?
The canonical SMILES for N-hexyl-3,5-dipropylpyrazole-1-carboxamide is CCCCCCNC(=O)n1nc(CCC)cc1CCC.
What is the InChIKey of N-hexyl-3,5-dipropylpyrazole-1-carboxamide?
The InChIKey is OACIDKYLXZMJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-4-7-8-9-12-17-16(20)19-15(11-6-3)13-14(18-19)10-5-2/h13H,4-12H2,1-3H3,(H,17,20).
What are the key properties of N-hexyl-3,5-dipropylpyrazole-1-carboxamide?
N-hexyl-3,5-dipropylpyrazole-1-carboxamide has a molecular weight of 279.43 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-3,5-dipropylpyrazole-1-carboxamide is sourced from PubChem (CID 134846480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).