5-cyclopropyl-N-(diaminomethylidene)-1-naphthalen-1-ylpyrazole-4-carboxamide

C18H17N5O — CID 10336075

IUPAC5-cyclopropyl-N-(diaminomethylidene)-1-naphthalen-1-ylpyrazole-4-carboxamide
SMILESNC(N)=NC(=O)c1cnn(-c2cccc3ccccc23)c1C1CC1
InChIInChI=1S/C18H17N5O/c19-18(20)22-17(24)14-10-21-23(16(14)12-8-9-12)15-7-3-5-11-4-1-2-6-13(11)15/h1-7,10,12H,8-9H2,(H4,19,20,22,24)
InChIKeyPWCQUYVBQAFFPI-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.32
Rot. Bonds3

About 5-cyclopropyl-N-(diaminomethylidene)-1-naphthalen-1-ylpyrazole-4-carboxamide

5-cyclopropyl-N-(diaminomethylidene)-1-naphthalen-1-ylpyrazole-4-carboxamide (PubChem CID 10336075) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 5-cyclopropyl-N-(diaminomethylidene)-1-naphthalen-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(diaminomethylidene)-1-naphthalen-1-ylpyrazole-4-carboxamide
PubChem CID10336075
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name5-cyclopropyl-N-(diaminomethylidene)-1-naphthalen-1-ylpyrazole-4-carboxamide
SMILESNC(N)=NC(=O)c1cnn(-c2cccc3ccccc23)c1C1CC1
InChIInChI=1S/C18H17N5O/c19-18(20)22-17(24)14-10-21-23(16(14)12-8-9-12)15-7-3-5-11-4-1-2-6-13(11)15/h1-7,10,12H,8-9H2,(H4,19,20,22,24)
InChIKeyPWCQUYVBQAFFPI-UHFFFAOYSA-N
XLogP2.32
TPSA99.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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CID 850670
N-(3-ethylphenyl)-5-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 850903
N-(2-ethylphenyl)-5-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 850907
N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazole-4-carboxamide
CID 16193474
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CP-703160
CID 9819134

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(diaminomethylidene)-1-naphthalen-1-ylpyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(diaminomethylidene)-1-naphthalen-1-ylpyrazole-4-carboxamide (CID 10336075) is 5-cyclopropyl-N-(diaminomethylidene)-1-naphthalen-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(diaminomethylidene)-1-naphthalen-1-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(diaminomethylidene)-1-naphthalen-1-ylpyrazole-4-carboxamide is NC(N)=NC(=O)c1cnn(-c2cccc3ccccc23)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-(diaminomethylidene)-1-naphthalen-1-ylpyrazole-4-carboxamide?
The InChIKey is PWCQUYVBQAFFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c19-18(20)22-17(24)14-10-21-23(16(14)12-8-9-12)15-7-3-5-11-4-1-2-6-13(11)15/h1-7,10,12H,8-9H2,(H4,19,20,22,24).
What are the key properties of 5-cyclopropyl-N-(diaminomethylidene)-1-naphthalen-1-ylpyrazole-4-carboxamide?
5-cyclopropyl-N-(diaminomethylidene)-1-naphthalen-1-ylpyrazole-4-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(diaminomethylidene)-1-naphthalen-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 10336075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).