N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]naphthalene-1-carboxamide

C19H15N3OS — CID 35674125

IUPACN-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]naphthalene-1-carboxamide
SMILESO=C(Nc1ccnn1Cc1cccs1)c1cccc2ccccc12
InChIInChI=1S/C19H15N3OS/c23-19(17-9-3-6-14-5-1-2-8-16(14)17)21-18-10-11-20-22(18)13-15-7-4-12-24-15/h1-12H,13H2,(H,21,23)
InChIKeyLVHQJFNONGHZOA-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.40
Rot. Bonds4

About N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]naphthalene-1-carboxamide

N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]naphthalene-1-carboxamide (PubChem CID 35674125) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]naphthalene-1-carboxamide
PubChem CID35674125
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC NameN-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]naphthalene-1-carboxamide
SMILESO=C(Nc1ccnn1Cc1cccs1)c1cccc2ccccc12
InChIInChI=1S/C19H15N3OS/c23-19(17-9-3-6-14-5-1-2-8-16(14)17)21-18-10-11-20-22(18)13-15-7-4-12-24-15/h1-12H,13H2,(H,21,23)
InChIKeyLVHQJFNONGHZOA-UHFFFAOYSA-N
XLogP4.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]naphthalene-1-carboxamide (CID 35674125) is N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]naphthalene-1-carboxamide is O=C(Nc1ccnn1Cc1cccs1)c1cccc2ccccc12.
What is the InChIKey of N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]naphthalene-1-carboxamide?
The InChIKey is LVHQJFNONGHZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c23-19(17-9-3-6-14-5-1-2-8-16(14)17)21-18-10-11-20-22(18)13-15-7-4-12-24-15/h1-12H,13H2,(H,21,23).
What are the key properties of N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]naphthalene-1-carboxamide?
N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]naphthalene-1-carboxamide has a molecular weight of 333.42 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 35674125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).