1-(2-ethylpyrazol-3-yl)-N-methylmethanamine

C7H13N3 — CID 672403

IUPAC1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
SMILESCCn1nccc1CNC
InChIInChI=1S/C7H13N3/c1-3-10-7(6-8-2)4-5-9-10/h4-5,8H,3,6H2,1-2H3
InChIKeyIPBXAQNEXLMXRW-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.62
Rot. Bonds3

About 1-(2-ethylpyrazol-3-yl)-N-methylmethanamine

1-(2-ethylpyrazol-3-yl)-N-methylmethanamine (PubChem CID 672403) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
PubChem CID672403
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
SMILESCCn1nccc1CNC
InChIInChI=1S/C7H13N3/c1-3-10-7(6-8-2)4-5-9-10/h4-5,8H,3,6H2,1-2H3
InChIKeyIPBXAQNEXLMXRW-UHFFFAOYSA-N
XLogP0.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazol-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)-N-methylmethanamine (CID 672403) is 1-(2-ethylpyrazol-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)-N-methylmethanamine is CCn1nccc1CNC.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)-N-methylmethanamine?
The InChIKey is IPBXAQNEXLMXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-3-10-7(6-8-2)4-5-9-10/h4-5,8H,3,6H2,1-2H3.
What are the key properties of 1-(2-ethylpyrazol-3-yl)-N-methylmethanamine?
1-(2-ethylpyrazol-3-yl)-N-methylmethanamine has a molecular weight of 139.20 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazol-3-yl)-N-methylmethanamine is sourced from PubChem (CID 672403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).