3-[cyclobutyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]propan-1-ol

C16H30N4O — CID 102864776

IUPAC3-[cyclobutyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]propan-1-ol
SMILESCCCNCc1c(C)nn(C)c1N(CCCO)C1CCC1
InChIInChI=1S/C16H30N4O/c1-4-9-17-12-15-13(2)18-19(3)16(15)20(10-6-11-21)14-7-5-8-14/h14,17,21H,4-12H2,1-3H3
InChIKeyJHXSPANDROLWTF-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.97
Rot. Bonds9

About 3-[cyclobutyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]propan-1-ol

3-[cyclobutyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]propan-1-ol (PubChem CID 102864776) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-[cyclobutyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[cyclobutyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]propan-1-ol
PubChem CID102864776
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name3-[cyclobutyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]propan-1-ol
SMILESCCCNCc1c(C)nn(C)c1N(CCCO)C1CCC1
InChIInChI=1S/C16H30N4O/c1-4-9-17-12-15-13(2)18-19(3)16(15)20(10-6-11-21)14-7-5-8-14/h14,17,21H,4-12H2,1-3H3
InChIKeyJHXSPANDROLWTF-UHFFFAOYSA-N
XLogP1.97
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 3-[cyclobutyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]propan-1-ol?
The IUPAC name of 3-[cyclobutyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]propan-1-ol (CID 102864776) is 3-[cyclobutyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[cyclobutyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]propan-1-ol?
The canonical SMILES for 3-[cyclobutyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]propan-1-ol is CCCNCc1c(C)nn(C)c1N(CCCO)C1CCC1.
What is the InChIKey of 3-[cyclobutyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]propan-1-ol?
The InChIKey is JHXSPANDROLWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-4-9-17-12-15-13(2)18-19(3)16(15)20(10-6-11-21)14-7-5-8-14/h14,17,21H,4-12H2,1-3H3.
What are the key properties of 3-[cyclobutyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]propan-1-ol?
3-[cyclobutyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]propan-1-ol has a molecular weight of 294.44 g/mol, XLogP of 1.97, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]propan-1-ol is sourced from PubChem (CID 102864776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).