2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol

C13H23N3O — CID 134613101

IUPAC2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol
SMILESCCCn1nc(C)c(/C=N/C(C)(C)CO)c1C
InChIInChI=1S/C13H23N3O/c1-6-7-16-11(3)12(10(2)15-16)8-14-13(4,5)9-17/h8,17H,6-7,9H2,1-5H3/b14-8+
InChIKeyMQCZCJOJCPQBTG-RIYZIHGNSA-N
MW237.35 g/mol
LogP2.10
Rot. Bonds5

About 2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol

2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol (PubChem CID 134613101) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol
PubChem CID134613101
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol
SMILESCCCn1nc(C)c(/C=N/C(C)(C)CO)c1C
InChIInChI=1S/C13H23N3O/c1-6-7-16-11(3)12(10(2)15-16)8-14-13(4,5)9-17/h8,17H,6-7,9H2,1-5H3/b14-8+
InChIKeyMQCZCJOJCPQBTG-RIYZIHGNSA-N
XLogP2.10
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol (CID 134613101) is 2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol is CCCn1nc(C)c(/C=N/C(C)(C)CO)c1C.
What is the InChIKey of 2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol?
The InChIKey is MQCZCJOJCPQBTG-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H23N3O/c1-6-7-16-11(3)12(10(2)15-16)8-14-13(4,5)9-17/h8,17H,6-7,9H2,1-5H3/b14-8+.
What are the key properties of 2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol?
2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol has a molecular weight of 237.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol is sourced from PubChem (CID 134613101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).