(1,3-dimethylpyrazol-4-yl)methanamine

C6H11N3 — CID 1257622

IUPAC(1,3-dimethylpyrazol-4-yl)methanamine
SMILESCc1nn(C)cc1CN
InChIInChI=1S/C6H11N3/c1-5-6(3-7)4-9(2)8-5/h4H,3,7H2,1-2H3
InChIKeyVERSVOWJFSHXSI-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.19
Rot. Bonds1

About (1,3-dimethylpyrazol-4-yl)methanamine

(1,3-dimethylpyrazol-4-yl)methanamine (PubChem CID 1257622) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)methanamine
PubChem CID1257622
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name(1,3-dimethylpyrazol-4-yl)methanamine
SMILESCc1nn(C)cc1CN
InChIInChI=1S/C6H11N3/c1-5-6(3-7)4-9(2)8-5/h4H,3,7H2,1-2H3
InChIKeyVERSVOWJFSHXSI-UHFFFAOYSA-N
XLogP0.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)methanamine?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)methanamine (CID 1257622) is (1,3-dimethylpyrazol-4-yl)methanamine.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)methanamine?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)methanamine is Cc1nn(C)cc1CN.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)methanamine?
The InChIKey is VERSVOWJFSHXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-5-6(3-7)4-9(2)8-5/h4H,3,7H2,1-2H3.
What are the key properties of (1,3-dimethylpyrazol-4-yl)methanamine?
(1,3-dimethylpyrazol-4-yl)methanamine has a molecular weight of 125.17 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)methanamine is sourced from PubChem (CID 1257622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).