N-(1-methylpyrazol-3-yl)naphthalene-1-carboxamide

C15H13N3O — CID 18152582

IUPACN-(1-methylpyrazol-3-yl)naphthalene-1-carboxamide
SMILESCn1ccc(NC(=O)c2cccc3ccccc23)n1
InChIInChI=1S/C15H13N3O/c1-18-10-9-14(17-18)16-15(19)13-8-4-6-11-5-2-3-7-12(11)13/h2-10H,1H3,(H,16,17,19)
InChIKeyUSVQSEZFZWACLE-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.83
Rot. Bonds2

About N-(1-methylpyrazol-3-yl)naphthalene-1-carboxamide

N-(1-methylpyrazol-3-yl)naphthalene-1-carboxamide (PubChem CID 18152582) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)naphthalene-1-carboxamide
PubChem CID18152582
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC NameN-(1-methylpyrazol-3-yl)naphthalene-1-carboxamide
SMILESCn1ccc(NC(=O)c2cccc3ccccc23)n1
InChIInChI=1S/C15H13N3O/c1-18-10-9-14(17-18)16-15(19)13-8-4-6-11-5-2-3-7-12(11)13/h2-10H,1H3,(H,16,17,19)
InChIKeyUSVQSEZFZWACLE-UHFFFAOYSA-N
XLogP2.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)naphthalene-1-carboxamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)naphthalene-1-carboxamide (CID 18152582) is N-(1-methylpyrazol-3-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)naphthalene-1-carboxamide is Cn1ccc(NC(=O)c2cccc3ccccc23)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)naphthalene-1-carboxamide?
The InChIKey is USVQSEZFZWACLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-18-10-9-14(17-18)16-15(19)13-8-4-6-11-5-2-3-7-12(11)13/h2-10H,1H3,(H,16,17,19).
What are the key properties of N-(1-methylpyrazol-3-yl)naphthalene-1-carboxamide?
N-(1-methylpyrazol-3-yl)naphthalene-1-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 18152582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).