4-methyl-1-pyrazol-1-ylpentan-2-amine

C9H17N3 — CID 83529320

IUPAC4-methyl-1-pyrazol-1-ylpentan-2-amine
SMILESCC(C)CC(N)Cn1cccn1
InChIInChI=1S/C9H17N3/c1-8(2)6-9(10)7-12-5-3-4-11-12/h3-5,8-9H,6-7,10H2,1-2H3
InChIKeyMPOWBXWBEQTYGS-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.26
Rot. Bonds4

About 4-methyl-1-pyrazol-1-ylpentan-2-amine

4-methyl-1-pyrazol-1-ylpentan-2-amine (PubChem CID 83529320) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 4-methyl-1-pyrazol-1-ylpentan-2-amine.

Molecular Properties

Compound Name4-methyl-1-pyrazol-1-ylpentan-2-amine
PubChem CID83529320
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name4-methyl-1-pyrazol-1-ylpentan-2-amine
SMILESCC(C)CC(N)Cn1cccn1
InChIInChI=1S/C9H17N3/c1-8(2)6-9(10)7-12-5-3-4-11-12/h3-5,8-9H,6-7,10H2,1-2H3
InChIKeyMPOWBXWBEQTYGS-UHFFFAOYSA-N
XLogP1.26
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-pyrazol-1-ylpentan-2-amine?
The IUPAC name of 4-methyl-1-pyrazol-1-ylpentan-2-amine (CID 83529320) is 4-methyl-1-pyrazol-1-ylpentan-2-amine.
What is the SMILES notation for 4-methyl-1-pyrazol-1-ylpentan-2-amine?
The canonical SMILES for 4-methyl-1-pyrazol-1-ylpentan-2-amine is CC(C)CC(N)Cn1cccn1.
What is the InChIKey of 4-methyl-1-pyrazol-1-ylpentan-2-amine?
The InChIKey is MPOWBXWBEQTYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-8(2)6-9(10)7-12-5-3-4-11-12/h3-5,8-9H,6-7,10H2,1-2H3.
What are the key properties of 4-methyl-1-pyrazol-1-ylpentan-2-amine?
4-methyl-1-pyrazol-1-ylpentan-2-amine has a molecular weight of 167.26 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-pyrazol-1-ylpentan-2-amine is sourced from PubChem (CID 83529320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).