1,3-dimethyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyrazole-4-carbonitrile

C9H12N8 — CID 63757848

IUPAC1,3-dimethyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyrazole-4-carbonitrile
SMILESCc1nn(C)c(NC(C)c2nn[nH]n2)c1C#N
InChIInChI=1S/C9H12N8/c1-5-7(4-10)9(17(3)14-5)11-6(2)8-12-15-16-13-8/h6,11H,1-3H3,(H,12,13,15,16)
InChIKeyMBXCFYOEZAERLE-UHFFFAOYSA-N
MW232.25 g/mol
LogP0.29
Rot. Bonds3

About 1,3-dimethyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyrazole-4-carbonitrile

1,3-dimethyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyrazole-4-carbonitrile (PubChem CID 63757848) has the molecular formula C9H12N8 and a molecular weight of 232.25 g/mol. Its IUPAC name is 1,3-dimethyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyrazole-4-carbonitrile
PubChem CID63757848
Molecular FormulaC9H12N8
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name1,3-dimethyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyrazole-4-carbonitrile
SMILESCc1nn(C)c(NC(C)c2nn[nH]n2)c1C#N
InChIInChI=1S/C9H12N8/c1-5-7(4-10)9(17(3)14-5)11-6(2)8-12-15-16-13-8/h6,11H,1-3H3,(H,12,13,15,16)
InChIKeyMBXCFYOEZAERLE-UHFFFAOYSA-N
XLogP0.29
TPSA108.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1,3-dimethyl-5-[1-(2H-tetrazol-5-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

1,3-dimethyl-5-[1-(1H-pyrazol-4-yl)ethylamino]pyrazole-4-carbonitrile
CID 114159097
5-[1-(4-methoxyphenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 66197582
3-methyl-1-propyl-5-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazole-4,5-diamine
CID 66028999
5-[1-(2-fluorophenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 55258792
ethyl 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]propanoate
CID 63758021
3-methyl-4-nitro-1-propyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazol-5-amine
CID 66027025
5-[1-(3-bromophenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63756467
2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-ethylpropanamide
CID 63757679
1,3-dimethyl-5-(1-piperidin-1-ylpropan-2-ylamino)pyrazole-4-carbonitrile
CID 63758194
5-(ethylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63757322
1,3-dimethyl-5-[2-(methylamino)ethylamino]pyrazole-4-carbonitrile
CID 63758903
5-[(3-hydroxy-2-methylpropyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
CID 65036129

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyrazole-4-carbonitrile?
The IUPAC name of 1,3-dimethyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyrazole-4-carbonitrile (CID 63757848) is 1,3-dimethyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyrazole-4-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyrazole-4-carbonitrile?
The canonical SMILES for 1,3-dimethyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyrazole-4-carbonitrile is Cc1nn(C)c(NC(C)c2nn[nH]n2)c1C#N.
What is the InChIKey of 1,3-dimethyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyrazole-4-carbonitrile?
The InChIKey is MBXCFYOEZAERLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N8/c1-5-7(4-10)9(17(3)14-5)11-6(2)8-12-15-16-13-8/h6,11H,1-3H3,(H,12,13,15,16).
What are the key properties of 1,3-dimethyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyrazole-4-carbonitrile?
1,3-dimethyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyrazole-4-carbonitrile has a molecular weight of 232.25 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyrazole-4-carbonitrile is sourced from PubChem (CID 63757848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).