5-cyclopropyl-N-[(E)-naphthalen-1-ylmethylideneamino]-1H-pyrazole-3-carboxamide

C18H16N4O — CID 6889175

IUPAC5-cyclopropyl-N-[(E)-naphthalen-1-ylmethylideneamino]-1H-pyrazole-3-carboxamide
SMILESO=C(N/N=C/c1cccc2ccccc12)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C18H16N4O/c23-18(17-10-16(20-21-17)13-8-9-13)22-19-11-14-6-3-5-12-4-1-2-7-15(12)14/h1-7,10-11,13H,8-9H2,(H,20,21)(H,22,23)/b19-11+
InChIKeyWKJABXLXUIDMNC-YBFXNURJSA-N
MW304.35 g/mol
LogP3.20
Rot. Bonds4

About 5-cyclopropyl-N-[(E)-naphthalen-1-ylmethylideneamino]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[(E)-naphthalen-1-ylmethylideneamino]-1H-pyrazole-3-carboxamide (PubChem CID 6889175) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(E)-naphthalen-1-ylmethylideneamino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(E)-naphthalen-1-ylmethylideneamino]-1H-pyrazole-3-carboxamide
PubChem CID6889175
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name5-cyclopropyl-N-[(E)-naphthalen-1-ylmethylideneamino]-1H-pyrazole-3-carboxamide
SMILESO=C(N/N=C/c1cccc2ccccc12)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C18H16N4O/c23-18(17-10-16(20-21-17)13-8-9-13)22-19-11-14-6-3-5-12-4-1-2-7-15(12)14/h1-7,10-11,13H,8-9H2,(H,20,21)(H,22,23)/b19-11+
InChIKeyWKJABXLXUIDMNC-YBFXNURJSA-N
XLogP3.20
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(E)-naphthalen-1-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(E)-naphthalen-1-ylmethylideneamino]-1H-pyrazole-3-carboxamide (CID 6889175) is 5-cyclopropyl-N-[(E)-naphthalen-1-ylmethylideneamino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(E)-naphthalen-1-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(E)-naphthalen-1-ylmethylideneamino]-1H-pyrazole-3-carboxamide is O=C(N/N=C/c1cccc2ccccc12)c1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-cyclopropyl-N-[(E)-naphthalen-1-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
The InChIKey is WKJABXLXUIDMNC-YBFXNURJSA-N. The full InChI is InChI=1S/C18H16N4O/c23-18(17-10-16(20-21-17)13-8-9-13)22-19-11-14-6-3-5-12-4-1-2-7-15(12)14/h1-7,10-11,13H,8-9H2,(H,20,21)(H,22,23)/b19-11+.
What are the key properties of 5-cyclopropyl-N-[(E)-naphthalen-1-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[(E)-naphthalen-1-ylmethylideneamino]-1H-pyrazole-3-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(E)-naphthalen-1-ylmethylideneamino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 6889175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).