2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine

C9H17N3 — CID 61387099

IUPAC2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine
SMILESCC(C)(C)NCCn1cccn1
InChIInChI=1S/C9H17N3/c1-9(2,3)10-6-8-12-7-4-5-11-12/h4-5,7,10H,6,8H2,1-3H3
InChIKeyQBANKCNNQAQAFK-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.27
Rot. Bonds3

About 2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine

2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine (PubChem CID 61387099) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine
PubChem CID61387099
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine
SMILESCC(C)(C)NCCn1cccn1
InChIInChI=1S/C9H17N3/c1-9(2,3)10-6-8-12-7-4-5-11-12/h4-5,7,10H,6,8H2,1-3H3
InChIKeyQBANKCNNQAQAFK-UHFFFAOYSA-N
XLogP1.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine?
The IUPAC name of 2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine (CID 61387099) is 2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine.
What is the SMILES notation for 2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine?
The canonical SMILES for 2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine is CC(C)(C)NCCn1cccn1.
What is the InChIKey of 2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine?
The InChIKey is QBANKCNNQAQAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-9(2,3)10-6-8-12-7-4-5-11-12/h4-5,7,10H,6,8H2,1-3H3.
What are the key properties of 2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine?
2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine has a molecular weight of 167.26 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine is sourced from PubChem (CID 61387099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).