N-(1-methoxybutan-2-yl)-1-methyl-3-propylpyrazol-5-amine

C12H23N3O — CID 115923337

IUPACN-(1-methoxybutan-2-yl)-1-methyl-3-propylpyrazol-5-amine
SMILESCCCc1cc(NC(CC)COC)n(C)n1
InChIInChI=1S/C12H23N3O/c1-5-7-11-8-12(15(3)14-11)13-10(6-2)9-16-4/h8,10,13H,5-7,9H2,1-4H3
InChIKeyMREJSBUILNNOFY-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.21
Rot. Bonds7

About N-(1-methoxybutan-2-yl)-1-methyl-3-propylpyrazol-5-amine

N-(1-methoxybutan-2-yl)-1-methyl-3-propylpyrazol-5-amine (PubChem CID 115923337) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-(1-methoxybutan-2-yl)-1-methyl-3-propylpyrazol-5-amine.

Molecular Properties

Compound NameN-(1-methoxybutan-2-yl)-1-methyl-3-propylpyrazol-5-amine
PubChem CID115923337
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-(1-methoxybutan-2-yl)-1-methyl-3-propylpyrazol-5-amine
SMILESCCCc1cc(NC(CC)COC)n(C)n1
InChIInChI=1S/C12H23N3O/c1-5-7-11-8-12(15(3)14-11)13-10(6-2)9-16-4/h8,10,13H,5-7,9H2,1-4H3
InChIKeyMREJSBUILNNOFY-UHFFFAOYSA-N
XLogP2.21
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-methoxybutan-2-yl)-1-methyl-3-propylpyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxybutan-2-yl)-1-methyl-3-propylpyrazol-5-amine?
The IUPAC name of N-(1-methoxybutan-2-yl)-1-methyl-3-propylpyrazol-5-amine (CID 115923337) is N-(1-methoxybutan-2-yl)-1-methyl-3-propylpyrazol-5-amine.
What is the SMILES notation for N-(1-methoxybutan-2-yl)-1-methyl-3-propylpyrazol-5-amine?
The canonical SMILES for N-(1-methoxybutan-2-yl)-1-methyl-3-propylpyrazol-5-amine is CCCc1cc(NC(CC)COC)n(C)n1.
What is the InChIKey of N-(1-methoxybutan-2-yl)-1-methyl-3-propylpyrazol-5-amine?
The InChIKey is MREJSBUILNNOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-7-11-8-12(15(3)14-11)13-10(6-2)9-16-4/h8,10,13H,5-7,9H2,1-4H3.
What are the key properties of N-(1-methoxybutan-2-yl)-1-methyl-3-propylpyrazol-5-amine?
N-(1-methoxybutan-2-yl)-1-methyl-3-propylpyrazol-5-amine has a molecular weight of 225.34 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxybutan-2-yl)-1-methyl-3-propylpyrazol-5-amine is sourced from PubChem (CID 115923337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).