1,3-dimethyl-5-[(1-methylimidazol-2-yl)methylamino]pyrazole-4-carbonitrile

C11H14N6 — CID 63757340

IUPAC1,3-dimethyl-5-[(1-methylimidazol-2-yl)methylamino]pyrazole-4-carbonitrile
SMILESCc1nn(C)c(NCc2nccn2C)c1C#N
InChIInChI=1S/C11H14N6/c1-8-9(6-12)11(17(3)15-8)14-7-10-13-4-5-16(10)2/h4-5,14H,7H2,1-3H3
InChIKeyKPWNRWJFBNIJEY-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.95
Rot. Bonds3

About 1,3-dimethyl-5-[(1-methylimidazol-2-yl)methylamino]pyrazole-4-carbonitrile

1,3-dimethyl-5-[(1-methylimidazol-2-yl)methylamino]pyrazole-4-carbonitrile (PubChem CID 63757340) has the molecular formula C11H14N6 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(1-methylimidazol-2-yl)methylamino]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-5-[(1-methylimidazol-2-yl)methylamino]pyrazole-4-carbonitrile
PubChem CID63757340
Molecular FormulaC11H14N6
Molecular Weight230.27 g/mol
Exact Mass230.13
IUPAC Name1,3-dimethyl-5-[(1-methylimidazol-2-yl)methylamino]pyrazole-4-carbonitrile
SMILESCc1nn(C)c(NCc2nccn2C)c1C#N
InChIInChI=1S/C11H14N6/c1-8-9(6-12)11(17(3)15-8)14-7-10-13-4-5-16(10)2/h4-5,14H,7H2,1-3H3
InChIKeyKPWNRWJFBNIJEY-UHFFFAOYSA-N
XLogP0.95
TPSA71.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(ethylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63757322
1,3-dimethyl-5-[(6-methyl-3-pyridinyl)methylamino]pyrazole-4-carbonitrile
CID 63758719
2-methyl-6-[(1-methylimidazol-2-yl)methylamino]benzonitrile
CID 114002963
5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 106034545
5-(furan-2-ylmethylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63756975
1,3-dimethyl-5-[2-(methylamino)ethylamino]pyrazole-4-carbonitrile
CID 63758903
3-[(1-methylimidazol-2-yl)methylamino]pyrazine-2-carbonitrile
CID 63239072
1-methyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine
CID 66011943
1,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 110431951
4-[[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]methyl]benzoic acid
CID 63756783
3-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazin-2-amine
CID 83062959
2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]acetic acid
CID 63758168

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(1-methylimidazol-2-yl)methylamino]pyrazole-4-carbonitrile?
The IUPAC name of 1,3-dimethyl-5-[(1-methylimidazol-2-yl)methylamino]pyrazole-4-carbonitrile (CID 63757340) is 1,3-dimethyl-5-[(1-methylimidazol-2-yl)methylamino]pyrazole-4-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-5-[(1-methylimidazol-2-yl)methylamino]pyrazole-4-carbonitrile?
The canonical SMILES for 1,3-dimethyl-5-[(1-methylimidazol-2-yl)methylamino]pyrazole-4-carbonitrile is Cc1nn(C)c(NCc2nccn2C)c1C#N.
What is the InChIKey of 1,3-dimethyl-5-[(1-methylimidazol-2-yl)methylamino]pyrazole-4-carbonitrile?
The InChIKey is KPWNRWJFBNIJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6/c1-8-9(6-12)11(17(3)15-8)14-7-10-13-4-5-16(10)2/h4-5,14H,7H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-[(1-methylimidazol-2-yl)methylamino]pyrazole-4-carbonitrile?
1,3-dimethyl-5-[(1-methylimidazol-2-yl)methylamino]pyrazole-4-carbonitrile has a molecular weight of 230.27 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(1-methylimidazol-2-yl)methylamino]pyrazole-4-carbonitrile is sourced from PubChem (CID 63757340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).