4-amino-N-(1,3-dimethylpyrazol-4-yl)-3-ethyl-1-methylpyrazole-5-carboxamide

C12H18N6O — CID 102803235

IUPAC4-amino-N-(1,3-dimethylpyrazol-4-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)Nc2cn(C)nc2C)c1N
InChIInChI=1S/C12H18N6O/c1-5-8-10(13)11(18(4)16-8)12(19)14-9-6-17(3)15-7(9)2/h6H,5,13H2,1-4H3,(H,14,19)
InChIKeyCVQRZCVFBGNEKR-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.86
Rot. Bonds3

About 4-amino-N-(1,3-dimethylpyrazol-4-yl)-3-ethyl-1-methylpyrazole-5-carboxamide

4-amino-N-(1,3-dimethylpyrazol-4-yl)-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 102803235) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 4-amino-N-(1,3-dimethylpyrazol-4-yl)-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1,3-dimethylpyrazol-4-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID102803235
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name4-amino-N-(1,3-dimethylpyrazol-4-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)Nc2cn(C)nc2C)c1N
InChIInChI=1S/C12H18N6O/c1-5-8-10(13)11(18(4)16-8)12(19)14-9-6-17(3)15-7(9)2/h6H,5,13H2,1-4H3,(H,14,19)
InChIKeyCVQRZCVFBGNEKR-UHFFFAOYSA-N
XLogP0.86
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 66124158
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CID 66117820
4-amino-N-(2-bromo-4-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66124519
4-amino-3-ethyl-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-5-carboxamide
CID 66123745
4-amino-3-ethyl-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide
CID 66123358
4-amino-3-ethyl-N-[2-(methoxymethyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 66117385
4-amino-3-ethyl-1-methyl-N-(3,4,5-trifluorophenyl)pyrazole-5-carboxamide
CID 66117392
4-amino-N-(2,6-difluoro-3-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 82799743
4-amino-N-(2-bromo-4-cyanophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 107796820
4-amino-3-ethyl-N-(6-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxamide
CID 116812548
4-amino-N-(5-bromo-2-pyridinyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66125685
4-amino-N-(1,3-dimethylpyrazol-4-yl)-5-propyl-1H-pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,3-dimethylpyrazol-4-yl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(1,3-dimethylpyrazol-4-yl)-3-ethyl-1-methylpyrazole-5-carboxamide (CID 102803235) is 4-amino-N-(1,3-dimethylpyrazol-4-yl)-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(1,3-dimethylpyrazol-4-yl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(1,3-dimethylpyrazol-4-yl)-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1nn(C)c(C(=O)Nc2cn(C)nc2C)c1N.
What is the InChIKey of 4-amino-N-(1,3-dimethylpyrazol-4-yl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is CVQRZCVFBGNEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-5-8-10(13)11(18(4)16-8)12(19)14-9-6-17(3)15-7(9)2/h6H,5,13H2,1-4H3,(H,14,19).
What are the key properties of 4-amino-N-(1,3-dimethylpyrazol-4-yl)-3-ethyl-1-methylpyrazole-5-carboxamide?
4-amino-N-(1,3-dimethylpyrazol-4-yl)-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 262.32 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,3-dimethylpyrazol-4-yl)-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 102803235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).