N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-5-methyl-1-phenylpyrazole-4-carboxamide

C19H22N6O — CID 122356232

IUPACN-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nc(N(C)C)nc(C)c1NC(=O)c1cnn(-c2ccccc2)c1C
InChIInChI=1S/C19H22N6O/c1-12-17(13(2)22-19(21-12)24(4)5)23-18(26)16-11-20-25(14(16)3)15-9-7-6-8-10-15/h6-11H,1-5H3,(H,23,26)
InChIKeyPAGYKJSRTLLIHP-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.91
Rot. Bonds4

About N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-5-methyl-1-phenylpyrazole-4-carboxamide

N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-5-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 122356232) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-5-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-5-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID122356232
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nc(N(C)C)nc(C)c1NC(=O)c1cnn(-c2ccccc2)c1C
InChIInChI=1S/C19H22N6O/c1-12-17(13(2)22-19(21-12)24(4)5)23-18(26)16-11-20-25(14(16)3)15-9-7-6-8-10-15/h6-11H,1-5H3,(H,23,26)
InChIKeyPAGYKJSRTLLIHP-UHFFFAOYSA-N
XLogP2.91
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108804181
2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoic acid
CID 108804246
5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375534
N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 41482979
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108804234
5-methyl-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide
CID 17464539
N-(2,5-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850670
5-methyl-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-4-carboxamide
CID 41420930
N-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 3827367
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108743569
ethyl 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoate
CID 38074348
5-methyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 11098783

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-5-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-5-methyl-1-phenylpyrazole-4-carboxamide (CID 122356232) is N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-5-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-5-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-5-methyl-1-phenylpyrazole-4-carboxamide is Cc1nc(N(C)C)nc(C)c1NC(=O)c1cnn(-c2ccccc2)c1C.
What is the InChIKey of N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-5-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is PAGYKJSRTLLIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-12-17(13(2)22-19(21-12)24(4)5)23-18(26)16-11-20-25(14(16)3)15-9-7-6-8-10-15/h6-11H,1-5H3,(H,23,26).
What are the key properties of N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-5-methyl-1-phenylpyrazole-4-carboxamide?
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-5-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-5-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 122356232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).