4-iodo-1-methyl-N-naphthalen-1-ylpyrazole-5-carboxamide

C15H12IN3O — CID 1301795

IUPAC4-iodo-1-methyl-N-naphthalen-1-ylpyrazole-5-carboxamide
SMILESCn1ncc(I)c1C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C15H12IN3O/c1-19-14(12(16)9-17-19)15(20)18-13-8-4-6-10-5-2-3-7-11(10)13/h2-9H,1H3,(H,18,20)
InChIKeyJNMTYTKGWZZMJU-UHFFFAOYSA-N
MW377.19 g/mol
LogP3.43
Rot. Bonds2

About 4-iodo-1-methyl-N-naphthalen-1-ylpyrazole-5-carboxamide

4-iodo-1-methyl-N-naphthalen-1-ylpyrazole-5-carboxamide (PubChem CID 1301795) has the molecular formula C15H12IN3O and a molecular weight of 377.19 g/mol. Its IUPAC name is 4-iodo-1-methyl-N-naphthalen-1-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-iodo-1-methyl-N-naphthalen-1-ylpyrazole-5-carboxamide
PubChem CID1301795
Molecular FormulaC15H12IN3O
Molecular Weight377.19 g/mol
Exact Mass377.00
IUPAC Name4-iodo-1-methyl-N-naphthalen-1-ylpyrazole-5-carboxamide
SMILESCn1ncc(I)c1C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C15H12IN3O/c1-19-14(12(16)9-17-19)15(20)18-13-8-4-6-10-5-2-3-7-11(10)13/h2-9H,1H3,(H,18,20)
InChIKeyJNMTYTKGWZZMJU-UHFFFAOYSA-N
XLogP3.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.19
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-3-naphthalen-1-ylurea
CID 841598
4-bromo-1-methyl-N-naphthalen-1-ylpyrrole-2-carboxamide
CID 43410998
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-iodo-1-methylpyrazole-5-carboxamide
CID 19476253
N-[(4-fluorophenyl)methyl]-4-iodo-1-methylpyrazole-5-carboxamide
CID 19476046
N-tert-butyl-4-iodo-1-methylpyrazole-5-carboxamide
CID 19577504
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-iodo-1-methylpyrazole-5-carboxamide
CID 19476126
N-naphthalen-1-ylpyridine-3-carboxamide
CID 532824
N-butan-2-yl-4-iodo-1-methylpyrazole-5-carboxamide
CID 19476123
N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-iodo-1-methylpyrazole-5-carboxamide
CID 19476145
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643

Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-methyl-N-naphthalen-1-ylpyrazole-5-carboxamide?
The IUPAC name of 4-iodo-1-methyl-N-naphthalen-1-ylpyrazole-5-carboxamide (CID 1301795) is 4-iodo-1-methyl-N-naphthalen-1-ylpyrazole-5-carboxamide.
What is the SMILES notation for 4-iodo-1-methyl-N-naphthalen-1-ylpyrazole-5-carboxamide?
The canonical SMILES for 4-iodo-1-methyl-N-naphthalen-1-ylpyrazole-5-carboxamide is Cn1ncc(I)c1C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 4-iodo-1-methyl-N-naphthalen-1-ylpyrazole-5-carboxamide?
The InChIKey is JNMTYTKGWZZMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12IN3O/c1-19-14(12(16)9-17-19)15(20)18-13-8-4-6-10-5-2-3-7-11(10)13/h2-9H,1H3,(H,18,20).
What are the key properties of 4-iodo-1-methyl-N-naphthalen-1-ylpyrazole-5-carboxamide?
4-iodo-1-methyl-N-naphthalen-1-ylpyrazole-5-carboxamide has a molecular weight of 377.19 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-methyl-N-naphthalen-1-ylpyrazole-5-carboxamide is sourced from PubChem (CID 1301795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).