5-amino-1-(4,6-dimethylpyrimidin-2-yl)-3-(ethylamino)pyrazole-4-carbonitrile

C12H15N7 — CID 102795345

IUPAC5-amino-1-(4,6-dimethylpyrimidin-2-yl)-3-(ethylamino)pyrazole-4-carbonitrile
SMILESCCNc1nn(-c2nc(C)cc(C)n2)c(N)c1C#N
InChIInChI=1S/C12H15N7/c1-4-15-11-9(6-13)10(14)19(18-11)12-16-7(2)5-8(3)17-12/h5H,4,14H2,1-3H3,(H,15,18)
InChIKeyRQIHWSMBMBQDDC-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.16
Rot. Bonds3

About 5-amino-1-(4,6-dimethylpyrimidin-2-yl)-3-(ethylamino)pyrazole-4-carbonitrile

5-amino-1-(4,6-dimethylpyrimidin-2-yl)-3-(ethylamino)pyrazole-4-carbonitrile (PubChem CID 102795345) has the molecular formula C12H15N7 and a molecular weight of 257.30 g/mol. Its IUPAC name is 5-amino-1-(4,6-dimethylpyrimidin-2-yl)-3-(ethylamino)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(4,6-dimethylpyrimidin-2-yl)-3-(ethylamino)pyrazole-4-carbonitrile
PubChem CID102795345
Molecular FormulaC12H15N7
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name5-amino-1-(4,6-dimethylpyrimidin-2-yl)-3-(ethylamino)pyrazole-4-carbonitrile
SMILESCCNc1nn(-c2nc(C)cc(C)n2)c(N)c1C#N
InChIInChI=1S/C12H15N7/c1-4-15-11-9(6-13)10(14)19(18-11)12-16-7(2)5-8(3)17-12/h5H,4,14H2,1-3H3,(H,15,18)
InChIKeyRQIHWSMBMBQDDC-UHFFFAOYSA-N
XLogP1.16
TPSA105.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-1-(4-bromo-2-methylphenyl)-3-(ethylamino)pyrazole-4-carbonitrile
CID 102796849
5-amino-1-(2-bromophenyl)-3-(ethylamino)pyrazole-4-carbonitrile
CID 102795895
5-amino-1-(2,5-dimethylphenyl)-3-(propylamino)pyrazole-4-carbonitrile
CID 102795681
5-amino-1-tert-butyl-3-(ethylamino)pyrazole-4-carbonitrile
CID 102795655
5-amino-3-(propylamino)-1-(3,4,5-trifluorophenyl)pyrazole-4-carbonitrile
CID 102796744
5-amino-1-(3,4-dichlorophenyl)-3-(propylamino)pyrazole-4-carbonitrile
CID 102795388
5-amino-3-(cyclopropylmethylamino)-1-(3-methylphenyl)pyrazole-4-carbonitrile
CID 102795569
5-amino-1-cycloheptyl-3-(ethylamino)pyrazole-4-carbonitrile
CID 102796104
5-amino-1-(3-bromophenyl)-3-(2,2,2-trifluoroethylamino)pyrazole-4-carbonitrile
CID 102795877
N-[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazol-5-yl]acetamide
CID 17122104
5-amino-1-(2-bromophenyl)-3-(cyclopropylmethylamino)pyrazole-4-carbonitrile
CID 102795890
5-amino-1-(2,6-dimethylpyrimidin-4-yl)-3-[ethyl(methyl)amino]pyrazole-4-carbonitrile
CID 102796779

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4,6-dimethylpyrimidin-2-yl)-3-(ethylamino)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(4,6-dimethylpyrimidin-2-yl)-3-(ethylamino)pyrazole-4-carbonitrile (CID 102795345) is 5-amino-1-(4,6-dimethylpyrimidin-2-yl)-3-(ethylamino)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(4,6-dimethylpyrimidin-2-yl)-3-(ethylamino)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(4,6-dimethylpyrimidin-2-yl)-3-(ethylamino)pyrazole-4-carbonitrile is CCNc1nn(-c2nc(C)cc(C)n2)c(N)c1C#N.
What is the InChIKey of 5-amino-1-(4,6-dimethylpyrimidin-2-yl)-3-(ethylamino)pyrazole-4-carbonitrile?
The InChIKey is RQIHWSMBMBQDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7/c1-4-15-11-9(6-13)10(14)19(18-11)12-16-7(2)5-8(3)17-12/h5H,4,14H2,1-3H3,(H,15,18).
What are the key properties of 5-amino-1-(4,6-dimethylpyrimidin-2-yl)-3-(ethylamino)pyrazole-4-carbonitrile?
5-amino-1-(4,6-dimethylpyrimidin-2-yl)-3-(ethylamino)pyrazole-4-carbonitrile has a molecular weight of 257.30 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4,6-dimethylpyrimidin-2-yl)-3-(ethylamino)pyrazole-4-carbonitrile is sourced from PubChem (CID 102795345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).