[1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methylcyclohexyl]methanol

C15H28N4O — CID 66017649

IUPAC[1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methylcyclohexyl]methanol
SMILESCC1CCCC(CO)(Nc2c(N)c(C(C)C)nn2C)C1
InChIInChI=1S/C15H28N4O/c1-10(2)13-12(16)14(19(4)18-13)17-15(9-20)7-5-6-11(3)8-15/h10-11,17,20H,5-9,16H2,1-4H3
InChIKeyFJUHZZJONHLJOX-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.48
Rot. Bonds4

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

[1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methylcyclohexyl]methanol (PubChem CID 66017649) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is [1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methylcyclohexyl]methanol
PubChem CID66017649
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name[1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methylcyclohexyl]methanol
SMILESCC1CCCC(CO)(Nc2c(N)c(C(C)C)nn2C)C1
InChIInChI=1S/C15H28N4O/c1-10(2)13-12(16)14(19(4)18-13)17-15(9-20)7-5-6-11(3)8-15/h10-11,17,20H,5-9,16H2,1-4H3
InChIKeyFJUHZZJONHLJOX-UHFFFAOYSA-N
XLogP2.48
TPSA76.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methylcyclohexyl]methanol?
The IUPAC name of [1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methylcyclohexyl]methanol (CID 66017649) is [1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methylcyclohexyl]methanol?
The canonical SMILES for [1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methylcyclohexyl]methanol is CC1CCCC(CO)(Nc2c(N)c(C(C)C)nn2C)C1.
What is the InChIKey of [1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methylcyclohexyl]methanol?
The InChIKey is FJUHZZJONHLJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-10(2)13-12(16)14(19(4)18-13)17-15(9-20)7-5-6-11(3)8-15/h10-11,17,20H,5-9,16H2,1-4H3.
What are the key properties of [1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methylcyclohexyl]methanol?
[1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methylcyclohexyl]methanol has a molecular weight of 280.42 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methylcyclohexyl]methanol is sourced from PubChem (CID 66017649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).