3-cyclopropyl-N-ethoxy-1-phenylpyrazole-5-carboxamide

C15H17N3O2 — CID 18169018

IUPAC3-cyclopropyl-N-ethoxy-1-phenylpyrazole-5-carboxamide
SMILESCCONC(=O)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C15H17N3O2/c1-2-20-17-15(19)14-10-13(11-8-9-11)16-18(14)12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3,(H,17,19)
InChIKeyDHILGQIXNTUPOS-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.43
Rot. Bonds5

About 3-cyclopropyl-N-ethoxy-1-phenylpyrazole-5-carboxamide

3-cyclopropyl-N-ethoxy-1-phenylpyrazole-5-carboxamide (PubChem CID 18169018) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-cyclopropyl-N-ethoxy-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-ethoxy-1-phenylpyrazole-5-carboxamide
PubChem CID18169018
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-cyclopropyl-N-ethoxy-1-phenylpyrazole-5-carboxamide
SMILESCCONC(=O)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C15H17N3O2/c1-2-20-17-15(19)14-10-13(11-8-9-11)16-18(14)12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3,(H,17,19)
InChIKeyDHILGQIXNTUPOS-UHFFFAOYSA-N
XLogP2.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-cyclopropyl-N-(3-ethoxypropyl)-1-phenylpyrazole-5-carboxamide
CID 9406513
N'-benzoyl-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide
CID 27555772
3-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 18161045
dimethyl 5-[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)amino]benzene-1,3-dicarboxylate
CID 26737011
3-cyclopropyl-N-(4-methylcyclohexyl)-1-phenylpyrazole-5-carboxamide
CID 9462634
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-[(2-methoxyphenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9404708
3-cyclopropyl-N-[2-(diethylamino)-2-phenylethyl]-1-phenylpyrazole-5-carboxamide
CID 18207609
3-cyclopropyl-1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-5-carboxamide
CID 9291418
3-cyclopropyl-N-(2-methylcyclohexyl)-1-phenylpyrazole-5-carboxamide
CID 43024528
3-cyclopropyl-N-(3-methoxyphenyl)-1-phenylpyrazole-5-carboxamide
CID 27167430

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-ethoxy-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-ethoxy-1-phenylpyrazole-5-carboxamide (CID 18169018) is 3-cyclopropyl-N-ethoxy-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-ethoxy-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-ethoxy-1-phenylpyrazole-5-carboxamide is CCONC(=O)c1cc(C2CC2)nn1-c1ccccc1.
What is the InChIKey of 3-cyclopropyl-N-ethoxy-1-phenylpyrazole-5-carboxamide?
The InChIKey is DHILGQIXNTUPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-20-17-15(19)14-10-13(11-8-9-11)16-18(14)12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3,(H,17,19).
What are the key properties of 3-cyclopropyl-N-ethoxy-1-phenylpyrazole-5-carboxamide?
3-cyclopropyl-N-ethoxy-1-phenylpyrazole-5-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-ethoxy-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 18169018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).