4-[(1-butan-2-ylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol

C13H25N3O — CID 66091379

IUPAC4-[(1-butan-2-ylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol
SMILESCCC(C)n1ccc(CNCC(C)CCO)n1
InChIInChI=1S/C13H25N3O/c1-4-12(3)16-7-5-13(15-16)10-14-9-11(2)6-8-17/h5,7,11-12,14,17H,4,6,8-10H2,1-3H3
InChIKeyLVXVUAIIVQACJW-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.96
Rot. Bonds8

About 4-[(1-butan-2-ylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol

4-[(1-butan-2-ylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol (PubChem CID 66091379) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-[(1-butan-2-ylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-[(1-butan-2-ylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol
PubChem CID66091379
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name4-[(1-butan-2-ylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol
SMILESCCC(C)n1ccc(CNCC(C)CCO)n1
InChIInChI=1S/C13H25N3O/c1-4-12(3)16-7-5-13(15-16)10-14-9-11(2)6-8-17/h5,7,11-12,14,17H,4,6,8-10H2,1-3H3
InChIKeyLVXVUAIIVQACJW-UHFFFAOYSA-N
XLogP1.96
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(1-butan-2-ylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol 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-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylpropan-1-amine
CID 64801963
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylprop-2-en-1-amine
CID 114616836
3-[(1-butan-2-ylpyrazol-3-yl)methylamino]-4,4-dimethylpentan-1-ol
CID 106349604
2-[(1-butan-2-ylpyrazol-3-yl)methylamino]acetamide
CID 64801986
[1-[[(1-butan-2-ylpyrazol-3-yl)methylamino]methyl]cyclopropyl]methanol
CID 115454619
1-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propan-2-ol
CID 64801613
3-(1-butan-2-ylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine
CID 64779069
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 64799883
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 64800314
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine
CID 64800468
4-bromo-N-[(1-butan-2-ylpyrazol-3-yl)methyl]butan-2-amine
CID 83188395
3-methyl-4-[(1-methylpyrrol-3-yl)methylamino]butan-1-ol
CID 66398795

Frequently Asked Questions

What is the IUPAC name of 4-[(1-butan-2-ylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol?
The IUPAC name of 4-[(1-butan-2-ylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol (CID 66091379) is 4-[(1-butan-2-ylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 4-[(1-butan-2-ylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol?
The canonical SMILES for 4-[(1-butan-2-ylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol is CCC(C)n1ccc(CNCC(C)CCO)n1.
What is the InChIKey of 4-[(1-butan-2-ylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol?
The InChIKey is LVXVUAIIVQACJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-12(3)16-7-5-13(15-16)10-14-9-11(2)6-8-17/h5,7,11-12,14,17H,4,6,8-10H2,1-3H3.
What are the key properties of 4-[(1-butan-2-ylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol?
4-[(1-butan-2-ylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol has a molecular weight of 239.36 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-butan-2-ylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 66091379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).