(1,3,5-trimethylpyrazol-4-yl)methanamine

C7H13N3 — CID 2776430

IUPAC(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCc1nn(C)c(C)c1CN
InChIInChI=1S/C7H13N3/c1-5-7(4-8)6(2)10(3)9-5/h4,8H2,1-3H3
InChIKeyDGVBHLRORWEBLP-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.50
Rot. Bonds1

About (1,3,5-trimethylpyrazol-4-yl)methanamine

(1,3,5-trimethylpyrazol-4-yl)methanamine (PubChem CID 2776430) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is (1,3,5-trimethylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(1,3,5-trimethylpyrazol-4-yl)methanamine
PubChem CID2776430
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCc1nn(C)c(C)c1CN
InChIInChI=1S/C7H13N3/c1-5-7(4-8)6(2)10(3)9-5/h4,8H2,1-3H3
InChIKeyDGVBHLRORWEBLP-UHFFFAOYSA-N
XLogP0.50
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,3,5-trimethylpyrazol-4-yl)methanamine?
The IUPAC name of (1,3,5-trimethylpyrazol-4-yl)methanamine (CID 2776430) is (1,3,5-trimethylpyrazol-4-yl)methanamine.
What is the SMILES notation for (1,3,5-trimethylpyrazol-4-yl)methanamine?
The canonical SMILES for (1,3,5-trimethylpyrazol-4-yl)methanamine is Cc1nn(C)c(C)c1CN.
What is the InChIKey of (1,3,5-trimethylpyrazol-4-yl)methanamine?
The InChIKey is DGVBHLRORWEBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-5-7(4-8)6(2)10(3)9-5/h4,8H2,1-3H3.
What are the key properties of (1,3,5-trimethylpyrazol-4-yl)methanamine?
(1,3,5-trimethylpyrazol-4-yl)methanamine has a molecular weight of 139.20 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3,5-trimethylpyrazol-4-yl)methanamine is sourced from PubChem (CID 2776430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).