5-amino-1-methyl-N-(4-methyl-2-pyridinyl)pyrazole-4-carboxamide

C11H13N5O — CID 82547054

IUPAC5-amino-1-methyl-N-(4-methyl-2-pyridinyl)pyrazole-4-carboxamide
SMILESCc1ccnc(NC(=O)c2cnn(C)c2N)c1
InChIInChI=1S/C11H13N5O/c1-7-3-4-13-9(5-7)15-11(17)8-6-14-16(2)10(8)12/h3-6H,12H2,1-2H3,(H,13,15,17)
InChIKeyCQWHVDJHYAJNCC-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.96
Rot. Bonds2

About 5-amino-1-methyl-N-(4-methyl-2-pyridinyl)pyrazole-4-carboxamide

5-amino-1-methyl-N-(4-methyl-2-pyridinyl)pyrazole-4-carboxamide (PubChem CID 82547054) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 5-amino-1-methyl-N-(4-methyl-2-pyridinyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-methyl-N-(4-methyl-2-pyridinyl)pyrazole-4-carboxamide
PubChem CID82547054
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name5-amino-1-methyl-N-(4-methyl-2-pyridinyl)pyrazole-4-carboxamide
SMILESCc1ccnc(NC(=O)c2cnn(C)c2N)c1
InChIInChI=1S/C11H13N5O/c1-7-3-4-13-9(5-7)15-11(17)8-6-14-16(2)10(8)12/h3-6H,12H2,1-2H3,(H,13,15,17)
InChIKeyCQWHVDJHYAJNCC-UHFFFAOYSA-N
XLogP0.96
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-methyl-N-(4-methyl-2-pyridinyl)pyrazole-5-carboxamide
CID 65355663
4-amino-6-methyl-N-(4-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 81236114
N-(4-bromo-2-pyridinyl)-1,5-dimethylpyrazole-4-carboxamide
CID 102674177
5-amino-N-(3-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide
CID 104939258
3-amino-N-(4-methyl-2-pyridinyl)naphthalene-2-carboxamide
CID 61207819
2-amino-4-fluoro-N-(4-methyl-2-pyridinyl)benzamide
CID 113228212
5-amino-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-4-carboxamide
CID 114252333
5-amino-N-(4-bromophenyl)-1-methylpyrazole-4-carboxamide
CID 80504044
4-amino-N-(4-methyl-2-pyridinyl)-1H-pyrazole-5-carboxamide
CID 63107417
5-amino-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide
CID 82547033
N-(5-amino-4-methyl-2-pyridinyl)-1,5-dimethylpyrazole-4-carboxamide
CID 61292593
6-methyl-N-(4-methyl-2-pyridinyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 42023810

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-N-(4-methyl-2-pyridinyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-methyl-N-(4-methyl-2-pyridinyl)pyrazole-4-carboxamide (CID 82547054) is 5-amino-1-methyl-N-(4-methyl-2-pyridinyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-methyl-N-(4-methyl-2-pyridinyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-methyl-N-(4-methyl-2-pyridinyl)pyrazole-4-carboxamide is Cc1ccnc(NC(=O)c2cnn(C)c2N)c1.
What is the InChIKey of 5-amino-1-methyl-N-(4-methyl-2-pyridinyl)pyrazole-4-carboxamide?
The InChIKey is CQWHVDJHYAJNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-7-3-4-13-9(5-7)15-11(17)8-6-14-16(2)10(8)12/h3-6H,12H2,1-2H3,(H,13,15,17).
What are the key properties of 5-amino-1-methyl-N-(4-methyl-2-pyridinyl)pyrazole-4-carboxamide?
5-amino-1-methyl-N-(4-methyl-2-pyridinyl)pyrazole-4-carboxamide has a molecular weight of 231.26 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-N-(4-methyl-2-pyridinyl)pyrazole-4-carboxamide is sourced from PubChem (CID 82547054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).