1,4,5-trimethylpyrazol-3-amine

C6H11N3 — CID 18723592

IUPAC1,4,5-trimethylpyrazol-3-amine
SMILESCc1c(N)nn(C)c1C
InChIInChI=1S/C6H11N3/c1-4-5(2)9(3)8-6(4)7/h1-3H3,(H2,7,8)
InChIKeyULKCEZJHKKBNKG-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.62
Rot. Bonds

About 1,4,5-trimethylpyrazol-3-amine

1,4,5-trimethylpyrazol-3-amine (PubChem CID 18723592) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 1,4,5-trimethylpyrazol-3-amine.

Molecular Properties

Compound Name1,4,5-trimethylpyrazol-3-amine
PubChem CID18723592
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name1,4,5-trimethylpyrazol-3-amine
SMILESCc1c(N)nn(C)c1C
InChIInChI=1S/C6H11N3/c1-4-5(2)9(3)8-6(4)7/h1-3H3,(H2,7,8)
InChIKeyULKCEZJHKKBNKG-UHFFFAOYSA-N
XLogP0.62
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Dimethyl-1H-pyrazol-5-amine
CID 520721
5-Ethyl-2,4-dimethyl-2H-pyrazol-3-ylamine hydrochloride
CID 16192886
1,5-dimethyl-1H-pyrazol-3-amine
CID 7017747
4-bromo-1,5-dimethyl-1H-pyrazol-3-amine
CID 19619860
5-amino-1,3-dimethyl-1H-pyrazole-4-carbonitrile
CID 219870
4-Bromo-1,3-dimethyl-1H-pyrazol-5-amine
CID 605717
3-ethyl-1,4-dimethyl-1H-pyrazol-5-amine
CID 1128420
2,4,5-trimethyl-2,3-dihydro-1H-pyrazol-3-imine
CID 4737030
1-ethyl-5-methyl-1H-pyrazol-3-amine
CID 6485384
4-chloro-1,5-dimethyl-1H-pyrazol-3-amine
CID 19616929
3-amino-1,5-dimethyl-1H-pyrazole-4-carbonitrile
CID 22222305
1,4-dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 33783361

Frequently Asked Questions

What is the IUPAC name of 1,4,5-trimethylpyrazol-3-amine?
The IUPAC name of 1,4,5-trimethylpyrazol-3-amine (CID 18723592) is 1,4,5-trimethylpyrazol-3-amine.
What is the SMILES notation for 1,4,5-trimethylpyrazol-3-amine?
The canonical SMILES for 1,4,5-trimethylpyrazol-3-amine is Cc1c(N)nn(C)c1C.
What is the InChIKey of 1,4,5-trimethylpyrazol-3-amine?
The InChIKey is ULKCEZJHKKBNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-4-5(2)9(3)8-6(4)7/h1-3H3,(H2,7,8).
What are the key properties of 1,4,5-trimethylpyrazol-3-amine?
1,4,5-trimethylpyrazol-3-amine has a molecular weight of 125.17 g/mol, XLogP of 0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5-trimethylpyrazol-3-amine is sourced from PubChem (CID 18723592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).