N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-carboxamide

C21H18N4O — CID 90555005

IUPACN-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-carboxamide
SMILESCn1nc(CNC(=O)c2cccc3ccccc23)cc1-c1ccncc1
InChIInChI=1S/C21H18N4O/c1-25-20(16-9-11-22-12-10-16)13-17(24-25)14-23-21(26)19-8-4-6-15-5-2-3-7-18(15)19/h2-13H,14H2,1H3,(H,23,26)
InChIKeyWIBUETOZUNMPAQ-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.57
Rot. Bonds4

About N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-carboxamide

N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-carboxamide (PubChem CID 90555005) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-carboxamide
PubChem CID90555005
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC NameN-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-carboxamide
SMILESCn1nc(CNC(=O)c2cccc3ccccc23)cc1-c1ccncc1
InChIInChI=1S/C21H18N4O/c1-25-20(16-9-11-22-12-10-16)13-17(24-25)14-23-21(26)19-8-4-6-15-5-2-3-7-18(15)19/h2-13H,14H2,1H3,(H,23,26)
InChIKeyWIBUETOZUNMPAQ-UHFFFAOYSA-N
XLogP3.57
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-oxopyridine-3-carboxamide
CID 71797491
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-phenylphenyl)acetamide
CID 90555066
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]butanamide
CID 90554937
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]pyridine-3-carboxamide
CID 90554952
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-sulfonamide
CID 90555158
3-methyl-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]butanamide
CID 90554943
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide
CID 90555037
2-ethoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide
CID 90554945
1-(2,6-difluorophenyl)-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea
CID 90555212
1-[(4-chlorophenyl)methyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea
CID 90555219
2-(3-methoxyphenoxy)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide
CID 90555028
(2S)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-phenoxypropanamide
CID 97042298

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-carboxamide?
The IUPAC name of N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-carboxamide (CID 90555005) is N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-carboxamide is Cn1nc(CNC(=O)c2cccc3ccccc23)cc1-c1ccncc1.
What is the InChIKey of N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-carboxamide?
The InChIKey is WIBUETOZUNMPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-25-20(16-9-11-22-12-10-16)13-17(24-25)14-23-21(26)19-8-4-6-15-5-2-3-7-18(15)19/h2-13H,14H2,1H3,(H,23,26).
What are the key properties of N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-carboxamide?
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 90555005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).