1,4-dimethylpyrazol-5-amine

C5H9N3 — CID 12847948

IUPAC1,4-dimethylpyrazol-5-amine
SMILESCc1cnn(C)c1N
InChIInChI=1S/C5H9N3/c1-4-3-7-8(2)5(4)6/h3H,6H2,1-2H3
InChIKeyAHTVCDZZGBELIK-UHFFFAOYSA-N
MW111.15 g/mol
LogP0.31
Rot. Bonds

About 1,4-dimethylpyrazol-5-amine

1,4-dimethylpyrazol-5-amine (PubChem CID 12847948) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 1,4-dimethylpyrazol-5-amine.

Molecular Properties

Compound Name1,4-dimethylpyrazol-5-amine
PubChem CID12847948
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name1,4-dimethylpyrazol-5-amine
SMILESCc1cnn(C)c1N
InChIInChI=1S/C5H9N3/c1-4-3-7-8(2)5(4)6/h3H,6H2,1-2H3
InChIKeyAHTVCDZZGBELIK-UHFFFAOYSA-N
XLogP0.31
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-2H-pyrazol-3-ylamine
CID 136927
4-Bromo-1-methyl-1H-pyrazol-5-amine
CID 600351
1-Ethyl-1H-pyrazol-5-amine
CID 337310
5-Amino-1-methyl-1H-pyrazole-4-carbonitrile
CID 219740
3-Amino-1-(propan-2-yl)-1H-pyrazole-4-carbonitrile
CID 276228
5-amino-1-tert-butyl-1H-pyrazole-4-carbonitrile
CID 2797454
1-(2-methylpropyl)-1H-pyrazol-5-amine
CID 4962021
N'-(4-cyano-1-methyl-1H-pyrazol-5-yl)-N,N-dimethyliminoformamide
CID 9581717
(1-methyl-1H-pyrazol-4-yl)methanamine
CID 671225
4-bromo-1-methyl-1H-pyrazol-3-amine
CID 2735283
1-Methyl-3-amino-4-cyanopyrazole
CID 10654213
4-iodo-1-methyl-1H-pyrazol-5-amine
CID 80365427

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpyrazol-5-amine?
The IUPAC name of 1,4-dimethylpyrazol-5-amine (CID 12847948) is 1,4-dimethylpyrazol-5-amine.
What is the SMILES notation for 1,4-dimethylpyrazol-5-amine?
The canonical SMILES for 1,4-dimethylpyrazol-5-amine is Cc1cnn(C)c1N.
What is the InChIKey of 1,4-dimethylpyrazol-5-amine?
The InChIKey is AHTVCDZZGBELIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c1-4-3-7-8(2)5(4)6/h3H,6H2,1-2H3.
What are the key properties of 1,4-dimethylpyrazol-5-amine?
1,4-dimethylpyrazol-5-amine has a molecular weight of 111.15 g/mol, XLogP of 0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpyrazol-5-amine is sourced from PubChem (CID 12847948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).