1-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propan-2-ol

C12H23N3O — CID 64801613

IUPAC1-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propan-2-ol
SMILESCCC(CC)n1ccc(CNCC(C)O)n1
InChIInChI=1S/C12H23N3O/c1-4-12(5-2)15-7-6-11(14-15)9-13-8-10(3)16/h6-7,10,12-13,16H,4-5,8-9H2,1-3H3
InChIKeyDFDXOYLZSZTRME-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.71
Rot. Bonds7

About 1-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propan-2-ol

1-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propan-2-ol (PubChem CID 64801613) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propan-2-ol
PubChem CID64801613
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propan-2-ol
SMILESCCC(CC)n1ccc(CNCC(C)O)n1
InChIInChI=1S/C12H23N3O/c1-4-12(5-2)15-7-6-11(14-15)9-13-8-10(3)16/h6-7,10,12-13,16H,4-5,8-9H2,1-3H3
InChIKeyDFDXOYLZSZTRME-UHFFFAOYSA-N
XLogP1.71
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propan-2-ol with MolForge

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Related Compounds

1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785051
4-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol
CID 64777271
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylpropan-1-amine
CID 64801963
3-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-amine
CID 64801245
4-[(1-butan-2-ylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol
CID 66091379
3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-ol
CID 64777467
3,3-dimethyl-4-[(1-pentan-3-ylpyrazol-3-yl)methylamino]butan-1-ol
CID 106146536
3-[2-[(1-pentan-3-ylpyrazol-3-yl)methylamino]ethylsulfanyl]propan-1-ol
CID 106310130
methyl 2-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propanoate
CID 64801059
3-methyl-1-[(1-methylpyrazol-3-yl)methylamino]pentan-2-ol
CID 115623504
N-[(5-ethylthiophen-2-yl)methyl]-1-(1-pentan-3-ylpyrazol-3-yl)methanamine
CID 106010807
(1S)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1-phenylethanamine
CID 79001167

Frequently Asked Questions

What is the IUPAC name of 1-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propan-2-ol?
The IUPAC name of 1-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propan-2-ol (CID 64801613) is 1-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propan-2-ol is CCC(CC)n1ccc(CNCC(C)O)n1.
What is the InChIKey of 1-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propan-2-ol?
The InChIKey is DFDXOYLZSZTRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-12(5-2)15-7-6-11(14-15)9-13-8-10(3)16/h6-7,10,12-13,16H,4-5,8-9H2,1-3H3.
What are the key properties of 1-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propan-2-ol?
1-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propan-2-ol has a molecular weight of 225.34 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propan-2-ol is sourced from PubChem (CID 64801613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).