4-amino-5-methyl-N-naphthalen-1-yl-1H-pyrazole-3-carboxamide

C15H14N4O — CID 62082084

IUPAC4-amino-5-methyl-N-naphthalen-1-yl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2cccc3ccccc23)c1N
InChIInChI=1S/C15H14N4O/c1-9-13(16)14(19-18-9)15(20)17-12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyBIIBYEMAPXCEJV-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.71
Rot. Bonds2

About 4-amino-5-methyl-N-naphthalen-1-yl-1H-pyrazole-3-carboxamide

4-amino-5-methyl-N-naphthalen-1-yl-1H-pyrazole-3-carboxamide (PubChem CID 62082084) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-amino-5-methyl-N-naphthalen-1-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-naphthalen-1-yl-1H-pyrazole-3-carboxamide
PubChem CID62082084
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name4-amino-5-methyl-N-naphthalen-1-yl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2cccc3ccccc23)c1N
InChIInChI=1S/C15H14N4O/c1-9-13(16)14(19-18-9)15(20)17-12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyBIIBYEMAPXCEJV-UHFFFAOYSA-N
XLogP2.71
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-methyl-N-(2-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide
CID 62081566
4-amino-N-(2,6-diethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62082971
4-amino-5-methyl-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 62083149
4-amino-5-methyl-N-(2,4,5-trichlorophenyl)-1H-pyrazole-3-carboxamide
CID 62081034
4-amino-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazole-3-carboxamide
CID 62323870
1-(5-methyl-1H-pyrazol-3-yl)-3-naphthalen-1-ylurea
CID 3699828
4-amino-1-ethyl-N-naphthalen-1-ylpyrazole-3-carboxamide
CID 65358599
4-amino-5-methyl-N-(3-sulfamoylphenyl)-1H-pyrazole-3-carboxamide
CID 62083333
4-amino-N-(4-ethoxy-2-methylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62083175
N-[(4-acetamidophenyl)methyl]-4-amino-5-methyl-1H-pyrazole-3-carboxamide
CID 62081238
4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 55033895
4-amino-5-methyl-N-(1,2-oxazol-3-yl)-1H-pyrazole-3-carboxamide
CID 62902050

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-naphthalen-1-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-naphthalen-1-yl-1H-pyrazole-3-carboxamide (CID 62082084) is 4-amino-5-methyl-N-naphthalen-1-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-naphthalen-1-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-naphthalen-1-yl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)Nc2cccc3ccccc23)c1N.
What is the InChIKey of 4-amino-5-methyl-N-naphthalen-1-yl-1H-pyrazole-3-carboxamide?
The InChIKey is BIIBYEMAPXCEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-9-13(16)14(19-18-9)15(20)17-12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,16H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 4-amino-5-methyl-N-naphthalen-1-yl-1H-pyrazole-3-carboxamide?
4-amino-5-methyl-N-naphthalen-1-yl-1H-pyrazole-3-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 2.71, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N-naphthalen-1-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62082084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).