4-amino-1,3-dimethyl-N-pyrimidin-2-ylpyrazole-5-carboxamide

C10H12N6O — CID 66121641

IUPAC4-amino-1,3-dimethyl-N-pyrimidin-2-ylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)Nc2ncccn2)c1N
InChIInChI=1S/C10H12N6O/c1-6-7(11)8(16(2)15-6)9(17)14-10-12-4-3-5-13-10/h3-5H,11H2,1-2H3,(H,12,13,14,17)
InChIKeyJWIXFSWDNSMHES-UHFFFAOYSA-N
MW232.25 g/mol
LogP0.35
Rot. Bonds2

About 4-amino-1,3-dimethyl-N-pyrimidin-2-ylpyrazole-5-carboxamide

4-amino-1,3-dimethyl-N-pyrimidin-2-ylpyrazole-5-carboxamide (PubChem CID 66121641) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is 4-amino-1,3-dimethyl-N-pyrimidin-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1,3-dimethyl-N-pyrimidin-2-ylpyrazole-5-carboxamide
PubChem CID66121641
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC Name4-amino-1,3-dimethyl-N-pyrimidin-2-ylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)Nc2ncccn2)c1N
InChIInChI=1S/C10H12N6O/c1-6-7(11)8(16(2)15-6)9(17)14-10-12-4-3-5-13-10/h3-5H,11H2,1-2H3,(H,12,13,14,17)
InChIKeyJWIXFSWDNSMHES-UHFFFAOYSA-N
XLogP0.35
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(2-chlorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66119861
4-amino-N-(4-tert-butylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121059
4-amino-N-[2-(2-methoxyethyl)phenyl]-1,3-dimethylpyrazole-5-carboxamide
CID 102903117
4-amino-N-(3-fluoro-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 79048774
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1,3-dimethylpyrazole-5-carboxamide
CID 79734496
4-amino-N-(2-bromo-6-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 107596248
4-amino-N-(4-chloro-2-iodophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 107624168
4-amino-N-(2,5-difluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121252
4-amino-N-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66124203
4-amino-N-[3-(dimethylamino)-4-methylphenyl]-1,3-dimethylpyrazole-5-carboxamide
CID 115375824
4-amino-N-(2-bromo-4-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66122027
4-amino-N-(4-bromo-3-chlorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 107618406

Frequently Asked Questions

What is the IUPAC name of 4-amino-1,3-dimethyl-N-pyrimidin-2-ylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-1,3-dimethyl-N-pyrimidin-2-ylpyrazole-5-carboxamide (CID 66121641) is 4-amino-1,3-dimethyl-N-pyrimidin-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1,3-dimethyl-N-pyrimidin-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1,3-dimethyl-N-pyrimidin-2-ylpyrazole-5-carboxamide is Cc1nn(C)c(C(=O)Nc2ncccn2)c1N.
What is the InChIKey of 4-amino-1,3-dimethyl-N-pyrimidin-2-ylpyrazole-5-carboxamide?
The InChIKey is JWIXFSWDNSMHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O/c1-6-7(11)8(16(2)15-6)9(17)14-10-12-4-3-5-13-10/h3-5H,11H2,1-2H3,(H,12,13,14,17).
What are the key properties of 4-amino-1,3-dimethyl-N-pyrimidin-2-ylpyrazole-5-carboxamide?
4-amino-1,3-dimethyl-N-pyrimidin-2-ylpyrazole-5-carboxamide has a molecular weight of 232.25 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,3-dimethyl-N-pyrimidin-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 66121641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).