5-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]pentan-1-ol

C11H21N3O — CID 62229414

IUPAC5-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]pentan-1-ol
SMILESCc1nn(CCCCCO)c(C)c1CN
InChIInChI=1S/C11H21N3O/c1-9-11(8-12)10(2)14(13-9)6-4-3-5-7-15/h15H,3-8,12H2,1-2H3
InChIKeyCMHUBDRKZQUBTI-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.12
Rot. Bonds6

About 5-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]pentan-1-ol

5-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]pentan-1-ol (PubChem CID 62229414) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 5-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]pentan-1-ol.

Molecular Properties

Compound Name5-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]pentan-1-ol
PubChem CID62229414
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name5-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]pentan-1-ol
SMILESCc1nn(CCCCCO)c(C)c1CN
InChIInChI=1S/C11H21N3O/c1-9-11(8-12)10(2)14(13-9)6-4-3-5-7-15/h15H,3-8,12H2,1-2H3
InChIKeyCMHUBDRKZQUBTI-UHFFFAOYSA-N
XLogP1.12
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]pentan-1-ol?
The IUPAC name of 5-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]pentan-1-ol (CID 62229414) is 5-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]pentan-1-ol.
What is the SMILES notation for 5-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]pentan-1-ol?
The canonical SMILES for 5-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]pentan-1-ol is Cc1nn(CCCCCO)c(C)c1CN.
What is the InChIKey of 5-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]pentan-1-ol?
The InChIKey is CMHUBDRKZQUBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9-11(8-12)10(2)14(13-9)6-4-3-5-7-15/h15H,3-8,12H2,1-2H3.
What are the key properties of 5-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]pentan-1-ol?
5-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]pentan-1-ol has a molecular weight of 211.31 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]pentan-1-ol is sourced from PubChem (CID 62229414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).