2-methyl-3-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]butan-2-ol

C12H23N3O — CID 65337632

IUPAC2-methyl-3-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]butan-2-ol
SMILESCc1[nH]ncc1CCCNC(C)C(C)(C)O
InChIInChI=1S/C12H23N3O/c1-9-11(8-14-15-9)6-5-7-13-10(2)12(3,4)16/h8,10,13,16H,5-7H2,1-4H3,(H,14,15)
InChIKeyUJJNPWAPEPUAHM-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.40
Rot. Bonds6

About 2-methyl-3-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]butan-2-ol

2-methyl-3-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]butan-2-ol (PubChem CID 65337632) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-methyl-3-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-3-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]butan-2-ol
PubChem CID65337632
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-methyl-3-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]butan-2-ol
SMILESCc1[nH]ncc1CCCNC(C)C(C)(C)O
InChIInChI=1S/C12H23N3O/c1-9-11(8-14-15-9)6-5-7-13-10(2)12(3,4)16/h8,10,13,16H,5-7H2,1-4H3,(H,14,15)
InChIKeyUJJNPWAPEPUAHM-UHFFFAOYSA-N
XLogP1.40
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]butan-2-ol?
The IUPAC name of 2-methyl-3-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]butan-2-ol (CID 65337632) is 2-methyl-3-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]butan-2-ol.
What is the SMILES notation for 2-methyl-3-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]butan-2-ol?
The canonical SMILES for 2-methyl-3-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]butan-2-ol is Cc1[nH]ncc1CCCNC(C)C(C)(C)O.
What is the InChIKey of 2-methyl-3-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]butan-2-ol?
The InChIKey is UJJNPWAPEPUAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9-11(8-14-15-9)6-5-7-13-10(2)12(3,4)16/h8,10,13,16H,5-7H2,1-4H3,(H,14,15).
What are the key properties of 2-methyl-3-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]butan-2-ol?
2-methyl-3-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]butan-2-ol has a molecular weight of 225.34 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]butan-2-ol is sourced from PubChem (CID 65337632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).