N-methyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-3-yl)butan-2-amine

C13H23N3O — CID 103012081

IUPACN-methyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-3-yl)butan-2-amine
SMILESCNC(CCc1cnn(C)c1)CC1CCOC1
InChIInChI=1S/C13H23N3O/c1-14-13(7-11-5-6-17-10-11)4-3-12-8-15-16(2)9-12/h8-9,11,13-14H,3-7,10H2,1-2H3
InChIKeyHYFLEHPGPSFCST-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.37
Rot. Bonds6

About N-methyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-3-yl)butan-2-amine

N-methyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-3-yl)butan-2-amine (PubChem CID 103012081) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-methyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-3-yl)butan-2-amine.

Molecular Properties

Compound NameN-methyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-3-yl)butan-2-amine
PubChem CID103012081
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-methyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-3-yl)butan-2-amine
SMILESCNC(CCc1cnn(C)c1)CC1CCOC1
InChIInChI=1S/C13H23N3O/c1-14-13(7-11-5-6-17-10-11)4-3-12-8-15-16(2)9-12/h8-9,11,13-14H,3-7,10H2,1-2H3
InChIKeyHYFLEHPGPSFCST-UHFFFAOYSA-N
XLogP1.37
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-3-yl)butan-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-ethyl-1-(1-methylpyrazol-4-yl)-3-(oxolan-3-yl)propan-2-amine
CID 113362176
N-methyl-1-(1-methylpyrazol-4-yl)-2-(oxolan-3-yl)ethanamine
CID 103986903
1-cyclopropyl-N-ethyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103011602
3-(1-methylpyrazol-4-yl)-N-(oxolan-3-ylmethyl)propan-1-amine
CID 115887397
N,6-dimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine
CID 103009586
N-methyl-1-(oxolan-3-yl)-4-thiophen-2-ylbutan-2-amine
CID 103986936
N-methyl-1-(4-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-amine
CID 103030182
N-ethyl-4-(1-methylpyrazol-4-yl)-1-(thian-4-yl)butan-2-amine
CID 103030225
1-cyclopropyl-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 63354994
1-(4-ethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 113362150
N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 62125869
6-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine
CID 103010409

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-3-yl)butan-2-amine?
The IUPAC name of N-methyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-3-yl)butan-2-amine (CID 103012081) is N-methyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-3-yl)butan-2-amine.
What is the SMILES notation for N-methyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-3-yl)butan-2-amine?
The canonical SMILES for N-methyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-3-yl)butan-2-amine is CNC(CCc1cnn(C)c1)CC1CCOC1.
What is the InChIKey of N-methyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-3-yl)butan-2-amine?
The InChIKey is HYFLEHPGPSFCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-14-13(7-11-5-6-17-10-11)4-3-12-8-15-16(2)9-12/h8-9,11,13-14H,3-7,10H2,1-2H3.
What are the key properties of N-methyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-3-yl)butan-2-amine?
N-methyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-3-yl)butan-2-amine has a molecular weight of 237.35 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-3-yl)butan-2-amine is sourced from PubChem (CID 103012081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).