5-cyclopropyl-N-[(2-ethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide

C16H18N4O2 — CID 940139

IUPAC5-cyclopropyl-N-[(2-ethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
SMILESCCOc1ccccc1C=NNC(=O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C16H18N4O2/c1-2-22-15-6-4-3-5-12(15)10-17-20-16(21)14-9-13(18-19-14)11-7-8-11/h3-6,9-11H,2,7-8H2,1H3,(H,18,19)(H,20,21)
InChIKeyFGUPASACJVTGMO-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.45
Rot. Bonds6

About 5-cyclopropyl-N-[(2-ethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[(2-ethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide (PubChem CID 940139) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(2-ethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(2-ethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
PubChem CID940139
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name5-cyclopropyl-N-[(2-ethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
SMILESCCOc1ccccc1C=NNC(=O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C16H18N4O2/c1-2-22-15-6-4-3-5-12(15)10-17-20-16(21)14-9-13(18-19-14)11-7-8-11/h3-6,9-11H,2,7-8H2,1H3,(H,18,19)(H,20,21)
InChIKeyFGUPASACJVTGMO-UHFFFAOYSA-N
XLogP2.45
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-cyclopropyl-N-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 760855
5-cyclopropyl-N-[(Z)-(4-fluorophenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 5402389
2-[2-[(Z)-[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 5403957
5-cyclopropyl-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 847664
5-cyclopropyl-N-[(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 760814
N-[(2-ethoxyphenyl)methylideneamino]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 1128539
N-[(2-ethoxyphenyl)methylideneamino]-3,4,5-trihydroxybenzamide
CID 4570338
5-cyclopropyl-N-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 760813
5-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 760842
3-(4-chlorophenyl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 5457432
2-chloro-N-[(2-ethoxyphenyl)methylideneamino]benzamide
CID 904314
N-[(2-ethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 690991

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(2-ethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(2-ethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide (CID 940139) is 5-cyclopropyl-N-[(2-ethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(2-ethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(2-ethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide is CCOc1ccccc1C=NNC(=O)c1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-cyclopropyl-N-[(2-ethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide?
The InChIKey is FGUPASACJVTGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-2-22-15-6-4-3-5-12(15)10-17-20-16(21)14-9-13(18-19-14)11-7-8-11/h3-6,9-11H,2,7-8H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 5-cyclopropyl-N-[(2-ethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[(2-ethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(2-ethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 940139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).