5-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]pentan-1-ol

C14H27N3O — CID 62228465

IUPAC5-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]pentan-1-ol
SMILESCc1nn(CCCCCO)c(C)c1CNC(C)C
InChIInChI=1S/C14H27N3O/c1-11(2)15-10-14-12(3)16-17(13(14)4)8-6-5-7-9-18/h11,15,18H,5-10H2,1-4H3
InChIKeyQAYHBFDXERIMQF-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.16
Rot. Bonds8

About 5-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]pentan-1-ol

5-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]pentan-1-ol (PubChem CID 62228465) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 5-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]pentan-1-ol.

Molecular Properties

Compound Name5-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]pentan-1-ol
PubChem CID62228465
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name5-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]pentan-1-ol
SMILESCc1nn(CCCCCO)c(C)c1CNC(C)C
InChIInChI=1S/C14H27N3O/c1-11(2)15-10-14-12(3)16-17(13(14)4)8-6-5-7-9-18/h11,15,18H,5-10H2,1-4H3
InChIKeyQAYHBFDXERIMQF-UHFFFAOYSA-N
XLogP2.16
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.16
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-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]pentan-1-ol?
The IUPAC name of 5-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]pentan-1-ol (CID 62228465) is 5-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]pentan-1-ol.
What is the SMILES notation for 5-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]pentan-1-ol?
The canonical SMILES for 5-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]pentan-1-ol is Cc1nn(CCCCCO)c(C)c1CNC(C)C.
What is the InChIKey of 5-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]pentan-1-ol?
The InChIKey is QAYHBFDXERIMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-11(2)15-10-14-12(3)16-17(13(14)4)8-6-5-7-9-18/h11,15,18H,5-10H2,1-4H3.
What are the key properties of 5-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]pentan-1-ol?
5-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]pentan-1-ol has a molecular weight of 253.39 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]pentan-1-ol is sourced from PubChem (CID 62228465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).