2-methyl-N-[3-(6-methylindazol-1-yl)propyl]pyrazole-3-carboxamide

C16H19N5O — CID 71688492

IUPAC2-methyl-N-[3-(6-methylindazol-1-yl)propyl]pyrazole-3-carboxamide
SMILESCc1ccc2cnn(CCCNC(=O)c3ccnn3C)c2c1
InChIInChI=1S/C16H19N5O/c1-12-4-5-13-11-19-21(15(13)10-12)9-3-7-17-16(22)14-6-8-18-20(14)2/h4-6,8,10-11H,3,7,9H2,1-2H3,(H,17,22)
InChIKeyPTLJBCUHHZLBOU-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.90
Rot. Bonds5

About 2-methyl-N-[3-(6-methylindazol-1-yl)propyl]pyrazole-3-carboxamide

2-methyl-N-[3-(6-methylindazol-1-yl)propyl]pyrazole-3-carboxamide (PubChem CID 71688492) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-methyl-N-[3-(6-methylindazol-1-yl)propyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-(6-methylindazol-1-yl)propyl]pyrazole-3-carboxamide
PubChem CID71688492
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name2-methyl-N-[3-(6-methylindazol-1-yl)propyl]pyrazole-3-carboxamide
SMILESCc1ccc2cnn(CCCNC(=O)c3ccnn3C)c2c1
InChIInChI=1S/C16H19N5O/c1-12-4-5-13-11-19-21(15(13)10-12)9-3-7-17-16(22)14-6-8-18-20(14)2/h4-6,8,10-11H,3,7,9H2,1-2H3,(H,17,22)
InChIKeyPTLJBCUHHZLBOU-UHFFFAOYSA-N
XLogP1.90
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(6-methylindazol-1-yl)propyl]-1,6-naphthyridine-8-carboxamide
CID 91949000
N-(3-chloropropyl)-2-methylpyrazole-3-carboxamide
CID 17167946
3,6-dimethyl-N-[3-(6-methylindazol-1-yl)propyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949873
N-(3-azidopropyl)-2-methylpyrazole-3-carboxamide
CID 61344724
2-methyl-N-[2-(4-methylphenyl)ethyl]pyrazole-3-carboxamide
CID 112528913
N-(3-methoxypropyl)-2-(6-methylindazol-1-yl)acetamide
CID 22509905
1-(3-methoxypropyl)-6-methylindazole
CID 66596206
N-(3-methoxypropyl)-2-methylpyrazole-3-carboxamide
CID 19475749
N-[3-(6-methylindazol-1-yl)propyl]-5-oxo-1,4-thiazepane-3-carboxamide
CID 102552029
2-[2-(6-methylindazol-1-yl)ethylamino]ethanol
CID 129023158
2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazole-3-carboxamide
CID 110467157
N-(4-bromopentyl)-2-methylpyrazole-3-carboxamide
CID 106130377

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(6-methylindazol-1-yl)propyl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[3-(6-methylindazol-1-yl)propyl]pyrazole-3-carboxamide (CID 71688492) is 2-methyl-N-[3-(6-methylindazol-1-yl)propyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-(6-methylindazol-1-yl)propyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[3-(6-methylindazol-1-yl)propyl]pyrazole-3-carboxamide is Cc1ccc2cnn(CCCNC(=O)c3ccnn3C)c2c1.
What is the InChIKey of 2-methyl-N-[3-(6-methylindazol-1-yl)propyl]pyrazole-3-carboxamide?
The InChIKey is PTLJBCUHHZLBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-12-4-5-13-11-19-21(15(13)10-12)9-3-7-17-16(22)14-6-8-18-20(14)2/h4-6,8,10-11H,3,7,9H2,1-2H3,(H,17,22).
What are the key properties of 2-methyl-N-[3-(6-methylindazol-1-yl)propyl]pyrazole-3-carboxamide?
2-methyl-N-[3-(6-methylindazol-1-yl)propyl]pyrazole-3-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(6-methylindazol-1-yl)propyl]pyrazole-3-carboxamide is sourced from PubChem (CID 71688492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).