1-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-4-methylpentan-3-ol

C12H23N3O — CID 115654700

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-4-methylpentan-3-ol
SMILESCc1n[nH]c(C)c1CNCCC(O)C(C)C
InChIInChI=1S/C12H23N3O/c1-8(2)12(16)5-6-13-7-11-9(3)14-15-10(11)4/h8,12-13,16H,5-7H2,1-4H3,(H,14,15)
InChIKeyCNDUYXVGLAFZHQ-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.52
Rot. Bonds6

About 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-4-methylpentan-3-ol

1-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-4-methylpentan-3-ol (PubChem CID 115654700) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-4-methylpentan-3-ol.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-4-methylpentan-3-ol
PubChem CID115654700
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-4-methylpentan-3-ol
SMILESCc1n[nH]c(C)c1CNCCC(O)C(C)C
InChIInChI=1S/C12H23N3O/c1-8(2)12(16)5-6-13-7-11-9(3)14-15-10(11)4/h8,12-13,16H,5-7H2,1-4H3,(H,14,15)
InChIKeyCNDUYXVGLAFZHQ-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
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 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-4-methylpentan-3-ol?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-4-methylpentan-3-ol (CID 115654700) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-4-methylpentan-3-ol.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-4-methylpentan-3-ol?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-4-methylpentan-3-ol is Cc1n[nH]c(C)c1CNCCC(O)C(C)C.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-4-methylpentan-3-ol?
The InChIKey is CNDUYXVGLAFZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-8(2)12(16)5-6-13-7-11-9(3)14-15-10(11)4/h8,12-13,16H,5-7H2,1-4H3,(H,14,15).
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-4-methylpentan-3-ol?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-4-methylpentan-3-ol has a molecular weight of 225.34 g/mol, XLogP of 1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-4-methylpentan-3-ol is sourced from PubChem (CID 115654700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).