5-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]pentan-2-ol

C12H24N4O — CID 114146037

IUPAC5-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]pentan-2-ol
SMILESCC(O)CCCNc1c(N)c(C(C)C)nn1C
InChIInChI=1S/C12H24N4O/c1-8(2)11-10(13)12(16(4)15-11)14-7-5-6-9(3)17/h8-9,14,17H,5-7,13H2,1-4H3
InChIKeyZKNFEUCAUGVDCI-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.70
Rot. Bonds6

About 5-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]pentan-2-ol

5-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]pentan-2-ol (PubChem CID 114146037) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 5-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name5-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]pentan-2-ol
PubChem CID114146037
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name5-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]pentan-2-ol
SMILESCC(O)CCCNc1c(N)c(C(C)C)nn1C
InChIInChI=1S/C12H24N4O/c1-8(2)11-10(13)12(16(4)15-11)14-7-5-6-9(3)17/h8-9,14,17H,5-7,13H2,1-4H3
InChIKeyZKNFEUCAUGVDCI-UHFFFAOYSA-N
XLogP1.70
TPSA76.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.70
H-Bond Donors ≤ 53
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 5-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]pentan-2-ol?
The IUPAC name of 5-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]pentan-2-ol (CID 114146037) is 5-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]pentan-2-ol.
What is the SMILES notation for 5-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]pentan-2-ol?
The canonical SMILES for 5-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]pentan-2-ol is CC(O)CCCNc1c(N)c(C(C)C)nn1C.
What is the InChIKey of 5-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]pentan-2-ol?
The InChIKey is ZKNFEUCAUGVDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-8(2)11-10(13)12(16(4)15-11)14-7-5-6-9(3)17/h8-9,14,17H,5-7,13H2,1-4H3.
What are the key properties of 5-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]pentan-2-ol?
5-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]pentan-2-ol has a molecular weight of 240.35 g/mol, XLogP of 1.70, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]pentan-2-ol is sourced from PubChem (CID 114146037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).