3-cyclopropyl-N-(3-ethoxypropyl)-1-phenylpyrazole-5-carboxamide

C18H23N3O2 — CID 9406513

IUPAC3-cyclopropyl-N-(3-ethoxypropyl)-1-phenylpyrazole-5-carboxamide
SMILESCCOCCCNC(=O)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C18H23N3O2/c1-2-23-12-6-11-19-18(22)17-13-16(14-9-10-14)20-21(17)15-7-4-3-5-8-15/h3-5,7-8,13-14H,2,6,9-12H2,1H3,(H,19,22)
InChIKeyMLUAIJSFQOPSEC-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.91
Rot. Bonds8

About 3-cyclopropyl-N-(3-ethoxypropyl)-1-phenylpyrazole-5-carboxamide

3-cyclopropyl-N-(3-ethoxypropyl)-1-phenylpyrazole-5-carboxamide (PubChem CID 9406513) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-cyclopropyl-N-(3-ethoxypropyl)-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-(3-ethoxypropyl)-1-phenylpyrazole-5-carboxamide
PubChem CID9406513
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-cyclopropyl-N-(3-ethoxypropyl)-1-phenylpyrazole-5-carboxamide
SMILESCCOCCCNC(=O)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C18H23N3O2/c1-2-23-12-6-11-19-18(22)17-13-16(14-9-10-14)20-21(17)15-7-4-3-5-8-15/h3-5,7-8,13-14H,2,6,9-12H2,1H3,(H,19,22)
InChIKeyMLUAIJSFQOPSEC-UHFFFAOYSA-N
XLogP2.91
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopropyl-1-phenyl-N-(3-phenylmethoxypropyl)pyrazole-5-carboxamide
CID 41365797
N-(3-ethoxypropyl)-5-methyl-2-phenylpyrazole-3-carboxamide
CID 5309119
3-cyclopropyl-1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-5-carboxamide
CID 9291418
3-cyclopropyl-N-ethoxy-1-phenylpyrazole-5-carboxamide
CID 18169018
3-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylpyrazole-5-carboxamide
CID 71709246
3-cyclopropyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9292766
3-cyclopropyl-N-[3-(2-oxoazepan-1-yl)propyl]-1-phenylpyrazole-5-carboxamide
CID 46537628
3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9404708
3-cyclopropyl-N-[2-(diethylamino)-2-phenylethyl]-1-phenylpyrazole-5-carboxamide
CID 18207609
3-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 18161045
3-cyclopropyl-N-(4-methylcyclohexyl)-1-phenylpyrazole-5-carboxamide
CID 9462634
[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate
CID 8998852

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(3-ethoxypropyl)-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-(3-ethoxypropyl)-1-phenylpyrazole-5-carboxamide (CID 9406513) is 3-cyclopropyl-N-(3-ethoxypropyl)-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-(3-ethoxypropyl)-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-(3-ethoxypropyl)-1-phenylpyrazole-5-carboxamide is CCOCCCNC(=O)c1cc(C2CC2)nn1-c1ccccc1.
What is the InChIKey of 3-cyclopropyl-N-(3-ethoxypropyl)-1-phenylpyrazole-5-carboxamide?
The InChIKey is MLUAIJSFQOPSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-2-23-12-6-11-19-18(22)17-13-16(14-9-10-14)20-21(17)15-7-4-3-5-8-15/h3-5,7-8,13-14H,2,6,9-12H2,1H3,(H,19,22).
What are the key properties of 3-cyclopropyl-N-(3-ethoxypropyl)-1-phenylpyrazole-5-carboxamide?
3-cyclopropyl-N-(3-ethoxypropyl)-1-phenylpyrazole-5-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(3-ethoxypropyl)-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 9406513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).