3-heptyl-N-phenylpyrazole-1-carboxamide

C17H23N3O — CID 14072144

IUPAC3-heptyl-N-phenylpyrazole-1-carboxamide
SMILESCCCCCCCc1ccn(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C17H23N3O/c1-2-3-4-5-7-12-16-13-14-20(19-16)17(21)18-15-10-8-6-9-11-15/h6,8-11,13-14H,2-5,7,12H2,1H3,(H,18,21)
InChIKeyFFYRNLPYKIXTQD-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.48
Rot. Bonds7

About 3-heptyl-N-phenylpyrazole-1-carboxamide

3-heptyl-N-phenylpyrazole-1-carboxamide (PubChem CID 14072144) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-heptyl-N-phenylpyrazole-1-carboxamide.

Molecular Properties

Compound Name3-heptyl-N-phenylpyrazole-1-carboxamide
PubChem CID14072144
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-heptyl-N-phenylpyrazole-1-carboxamide
SMILESCCCCCCCc1ccn(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C17H23N3O/c1-2-3-4-5-7-12-16-13-14-20(19-16)17(21)18-15-10-8-6-9-11-15/h6,8-11,13-14H,2-5,7,12H2,1H3,(H,18,21)
InChIKeyFFYRNLPYKIXTQD-UHFFFAOYSA-N
XLogP4.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.48
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

1-dodecyl-3-phenylurea
CID 3697946
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CID 5027182
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CID 19025260
N-phenylheptatetracontanamide
CID 150503307
N-phenyldec-2-enamide
CID 72974313
2,2-dibromo-N-phenylnonanamide
CID 59766487
4-heptadecan-2-yl-N-phenylpiperazine-1-carboxamide
CID 110174868
2-methyl-N-phenyl-2-trimethylsilylheptanamide
CID 10334484
(Z)-N-phenyloctadec-9-enamide
CID 5354590
1-ethyl-1-hexyl-3-phenylurea
CID 168918798
N-phenyldocos-13-enamide
CID 54224492
2,2-bis(octylsulfonyl)-1-N,1-N'-diphenylethene-1,1-diamine
CID 3963224

Frequently Asked Questions

What is the IUPAC name of 3-heptyl-N-phenylpyrazole-1-carboxamide?
The IUPAC name of 3-heptyl-N-phenylpyrazole-1-carboxamide (CID 14072144) is 3-heptyl-N-phenylpyrazole-1-carboxamide.
What is the SMILES notation for 3-heptyl-N-phenylpyrazole-1-carboxamide?
The canonical SMILES for 3-heptyl-N-phenylpyrazole-1-carboxamide is CCCCCCCc1ccn(C(=O)Nc2ccccc2)n1.
What is the InChIKey of 3-heptyl-N-phenylpyrazole-1-carboxamide?
The InChIKey is FFYRNLPYKIXTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-3-4-5-7-12-16-13-14-20(19-16)17(21)18-15-10-8-6-9-11-15/h6,8-11,13-14H,2-5,7,12H2,1H3,(H,18,21).
What are the key properties of 3-heptyl-N-phenylpyrazole-1-carboxamide?
3-heptyl-N-phenylpyrazole-1-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptyl-N-phenylpyrazole-1-carboxamide is sourced from PubChem (CID 14072144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).