5-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methylpyrazole-4-carboxamide

C16H18N6O2 — CID 110452089

IUPAC5-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methylpyrazole-4-carboxamide
SMILESCc1c(NC(=O)c2cnn(C)c2N)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C16H18N6O2/c1-10-13(19-15(23)12-9-18-20(2)14(12)17)16(24)22(21(10)3)11-7-5-4-6-8-11/h4-9H,17H2,1-3H3,(H,19,23)
InChIKeyBIVHMYYJZJUOFF-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.05
Rot. Bonds3

About 5-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methylpyrazole-4-carboxamide

5-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methylpyrazole-4-carboxamide (PubChem CID 110452089) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 5-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methylpyrazole-4-carboxamide
PubChem CID110452089
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name5-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methylpyrazole-4-carboxamide
SMILESCc1c(NC(=O)c2cnn(C)c2N)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C16H18N6O2/c1-10-13(19-15(23)12-9-18-20(2)14(12)17)16(24)22(21(10)3)11-7-5-4-6-8-11/h4-9H,17H2,1-3H3,(H,19,23)
InChIKeyBIVHMYYJZJUOFF-UHFFFAOYSA-N
XLogP1.05
TPSA99.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 35864182
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31882555
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 51310773
1-(3-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethylpyrazole-4-carboxamide
CID 46588715
2-(2-amino-2-oxoethyl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 43033936
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 36978519
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxybenzamide
CID 1043889
N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]-4-iodo-1-methylpyrazole-5-carboxamide
CID 5060813
4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iodobenzamide
CID 39705744
methyl 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]benzoate
CID 26908983
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)quinoline-3-carboxamide
CID 4555022

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methylpyrazole-4-carboxamide (CID 110452089) is 5-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methylpyrazole-4-carboxamide is Cc1c(NC(=O)c2cnn(C)c2N)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 5-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methylpyrazole-4-carboxamide?
The InChIKey is BIVHMYYJZJUOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-10-13(19-15(23)12-9-18-20(2)14(12)17)16(24)22(21(10)3)11-7-5-4-6-8-11/h4-9H,17H2,1-3H3,(H,19,23).
What are the key properties of 5-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methylpyrazole-4-carboxamide?
5-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methylpyrazole-4-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 110452089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).