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

C13H24N4O — CID 66017455

IUPAC2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]cyclohexan-1-ol
SMILESCC(C)c1nn(C)c(NC2CCCCC2O)c1N
InChIInChI=1S/C13H24N4O/c1-8(2)12-11(14)13(17(3)16-12)15-9-6-4-5-7-10(9)18/h8-10,15,18H,4-7,14H2,1-3H3
InChIKeyPIZQQDLIZPFWMD-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.84
Rot. Bonds3

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

2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]cyclohexan-1-ol (PubChem CID 66017455) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]cyclohexan-1-ol
PubChem CID66017455
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]cyclohexan-1-ol
SMILESCC(C)c1nn(C)c(NC2CCCCC2O)c1N
InChIInChI=1S/C13H24N4O/c1-8(2)12-11(14)13(17(3)16-12)15-9-6-4-5-7-10(9)18/h8-10,15,18H,4-7,14H2,1-3H3
InChIKeyPIZQQDLIZPFWMD-UHFFFAOYSA-N
XLogP1.84
TPSA76.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]cyclohexan-1-ol (CID 66017455) is 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]cyclohexan-1-ol is CC(C)c1nn(C)c(NC2CCCCC2O)c1N.
What is the InChIKey of 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]cyclohexan-1-ol?
The InChIKey is PIZQQDLIZPFWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-8(2)12-11(14)13(17(3)16-12)15-9-6-4-5-7-10(9)18/h8-10,15,18H,4-7,14H2,1-3H3.
What are the key properties of 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]cyclohexan-1-ol?
2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]cyclohexan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 1.84, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 66017455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).