1,3-dimethyl-5-[1-(1H-pyrazol-4-yl)ethylamino]pyrazole-4-carbonitrile

C11H14N6 — CID 114159097

IUPAC1,3-dimethyl-5-[1-(1H-pyrazol-4-yl)ethylamino]pyrazole-4-carbonitrile
SMILESCc1nn(C)c(NC(C)c2cn[nH]c2)c1C#N
InChIInChI=1S/C11H14N6/c1-7(9-5-13-14-6-9)15-11-10(4-12)8(2)16-17(11)3/h5-7,15H,1-3H3,(H,13,14)
InChIKeyBOUOZNKIWTZOGN-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.50
Rot. Bonds3

About 1,3-dimethyl-5-[1-(1H-pyrazol-4-yl)ethylamino]pyrazole-4-carbonitrile

1,3-dimethyl-5-[1-(1H-pyrazol-4-yl)ethylamino]pyrazole-4-carbonitrile (PubChem CID 114159097) has the molecular formula C11H14N6 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1,3-dimethyl-5-[1-(1H-pyrazol-4-yl)ethylamino]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-5-[1-(1H-pyrazol-4-yl)ethylamino]pyrazole-4-carbonitrile
PubChem CID114159097
Molecular FormulaC11H14N6
Molecular Weight230.27 g/mol
Exact Mass230.13
IUPAC Name1,3-dimethyl-5-[1-(1H-pyrazol-4-yl)ethylamino]pyrazole-4-carbonitrile
SMILESCc1nn(C)c(NC(C)c2cn[nH]c2)c1C#N
InChIInChI=1S/C11H14N6/c1-7(9-5-13-14-6-9)15-11-10(4-12)8(2)16-17(11)3/h5-7,15H,1-3H3,(H,13,14)
InChIKeyBOUOZNKIWTZOGN-UHFFFAOYSA-N
XLogP1.50
TPSA82.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1,3-dimethyl-5-[1-(1H-pyrazol-4-yl)ethylamino]pyrazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-(4-methoxyphenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 66197582
5-[1-(3-bromophenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63756467
1,3-dimethyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyrazole-4-carbonitrile
CID 63757848
5-[1-(2-fluorophenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 55258792
4-methyl-2-[1-(1H-pyrazol-4-yl)ethylamino]benzonitrile
CID 106214140
ethyl 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]propanoate
CID 63758021
1,3-dimethyl-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyrazole-4-carbonitrile
CID 55243651
3-[1-(1H-pyrazol-4-yl)ethylamino]benzonitrile
CID 106214258
1,3-dimethyl-5-(1-piperidin-1-ylpropan-2-ylamino)pyrazole-4-carbonitrile
CID 63758194
2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-ethylpropanamide
CID 63757679
5-(ethylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63757322
1,3-dimethyl-5-(1-piperidin-3-ylethylamino)pyrazole-4-carbonitrile
CID 63758031

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[1-(1H-pyrazol-4-yl)ethylamino]pyrazole-4-carbonitrile?
The IUPAC name of 1,3-dimethyl-5-[1-(1H-pyrazol-4-yl)ethylamino]pyrazole-4-carbonitrile (CID 114159097) is 1,3-dimethyl-5-[1-(1H-pyrazol-4-yl)ethylamino]pyrazole-4-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-5-[1-(1H-pyrazol-4-yl)ethylamino]pyrazole-4-carbonitrile?
The canonical SMILES for 1,3-dimethyl-5-[1-(1H-pyrazol-4-yl)ethylamino]pyrazole-4-carbonitrile is Cc1nn(C)c(NC(C)c2cn[nH]c2)c1C#N.
What is the InChIKey of 1,3-dimethyl-5-[1-(1H-pyrazol-4-yl)ethylamino]pyrazole-4-carbonitrile?
The InChIKey is BOUOZNKIWTZOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6/c1-7(9-5-13-14-6-9)15-11-10(4-12)8(2)16-17(11)3/h5-7,15H,1-3H3,(H,13,14).
What are the key properties of 1,3-dimethyl-5-[1-(1H-pyrazol-4-yl)ethylamino]pyrazole-4-carbonitrile?
1,3-dimethyl-5-[1-(1H-pyrazol-4-yl)ethylamino]pyrazole-4-carbonitrile has a molecular weight of 230.27 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[1-(1H-pyrazol-4-yl)ethylamino]pyrazole-4-carbonitrile is sourced from PubChem (CID 114159097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).