(3,5-dimethyl-1H-pyrazol-4-yl)methanamine

C6H11N3 — CID 572718

IUPAC(3,5-dimethyl-1H-pyrazol-4-yl)methanamine
SMILESCc1n[nH]c(C)c1CN
InChIInChI=1S/C6H11N3/c1-4-6(3-7)5(2)9-8-4/h3,7H2,1-2H3,(H,8,9)
InChIKeyYJVZLKBKPGYLJW-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.49
Rot. Bonds1

About (3,5-dimethyl-1H-pyrazol-4-yl)methanamine

(3,5-dimethyl-1H-pyrazol-4-yl)methanamine (PubChem CID 572718) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is (3,5-dimethyl-1H-pyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(3,5-dimethyl-1H-pyrazol-4-yl)methanamine
PubChem CID572718
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name(3,5-dimethyl-1H-pyrazol-4-yl)methanamine
SMILESCc1n[nH]c(C)c1CN
InChIInChI=1S/C6H11N3/c1-4-6(3-7)5(2)9-8-4/h3,7H2,1-2H3,(H,8,9)
InChIKeyYJVZLKBKPGYLJW-UHFFFAOYSA-N
XLogP0.49
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1H-pyrazol-4-yl)methanamine?
The IUPAC name of (3,5-dimethyl-1H-pyrazol-4-yl)methanamine (CID 572718) is (3,5-dimethyl-1H-pyrazol-4-yl)methanamine.
What is the SMILES notation for (3,5-dimethyl-1H-pyrazol-4-yl)methanamine?
The canonical SMILES for (3,5-dimethyl-1H-pyrazol-4-yl)methanamine is Cc1n[nH]c(C)c1CN.
What is the InChIKey of (3,5-dimethyl-1H-pyrazol-4-yl)methanamine?
The InChIKey is YJVZLKBKPGYLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-4-6(3-7)5(2)9-8-4/h3,7H2,1-2H3,(H,8,9).
What are the key properties of (3,5-dimethyl-1H-pyrazol-4-yl)methanamine?
(3,5-dimethyl-1H-pyrazol-4-yl)methanamine has a molecular weight of 125.17 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1H-pyrazol-4-yl)methanamine is sourced from PubChem (CID 572718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).