4-amino-2-cyclohexyl-5-propan-2-yl-1H-pyrazol-3-one

C12H21N3O — CID 103995106

IUPAC4-amino-2-cyclohexyl-5-propan-2-yl-1H-pyrazol-3-one
SMILESCC(C)c1[nH]n(C2CCCCC2)c(=O)c1N
InChIInChI=1S/C12H21N3O/c1-8(2)11-10(13)12(16)15(14-11)9-6-4-3-5-7-9/h8-9,14H,3-7,13H2,1-2H3
InChIKeyXKUAWWNQEZEJIL-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.39
Rot. Bonds2

About 4-amino-2-cyclohexyl-5-propan-2-yl-1H-pyrazol-3-one

4-amino-2-cyclohexyl-5-propan-2-yl-1H-pyrazol-3-one (PubChem CID 103995106) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-amino-2-cyclohexyl-5-propan-2-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-cyclohexyl-5-propan-2-yl-1H-pyrazol-3-one
PubChem CID103995106
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-amino-2-cyclohexyl-5-propan-2-yl-1H-pyrazol-3-one
SMILESCC(C)c1[nH]n(C2CCCCC2)c(=O)c1N
InChIInChI=1S/C12H21N3O/c1-8(2)11-10(13)12(16)15(14-11)9-6-4-3-5-7-9/h8-9,14H,3-7,13H2,1-2H3
InChIKeyXKUAWWNQEZEJIL-UHFFFAOYSA-N
XLogP2.39
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-cyclohexyl-5-methyl-1H-pyrazol-3-one
CID 112693118
2-cyclohexyl-4-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one
CID 117124413
2-cycloheptyl-5-methyl-4-propan-2-yl-1H-pyrazol-3-one
CID 66022732
2-cycloheptyl-4,5-dimethyl-1H-pyrazol-3-one
CID 66022942
4-amino-2-ethyl-5-propan-2-yl-1H-pyrazol-3-one
CID 103995081
4-amino-2-cycloheptyl-1-methyl-5-propan-2-ylpyrazol-3-one
CID 61271829
2-cyclopentyl-5-propan-2-yl-1H-pyrazol-3-one
CID 66020260
2-cycloheptyl-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
CID 115040963
5-amino-2-cyclohexyl-1H-pyrazol-3-one
CID 46318268
4-amino-2-(1,1-dioxothiolan-3-yl)-5-(2-methylpropyl)-1H-pyrazol-3-one
CID 103994824
2-cycloheptyl-4,6-dihydro-1H-furo[3,4-c]pyrazol-3-one
CID 105479375
4-amino-2-(1,1-dioxothiolan-3-yl)-5-methyl-1H-pyrazol-3-one
CID 103994819

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-cyclohexyl-5-propan-2-yl-1H-pyrazol-3-one?
The IUPAC name of 4-amino-2-cyclohexyl-5-propan-2-yl-1H-pyrazol-3-one (CID 103995106) is 4-amino-2-cyclohexyl-5-propan-2-yl-1H-pyrazol-3-one.
What is the SMILES notation for 4-amino-2-cyclohexyl-5-propan-2-yl-1H-pyrazol-3-one?
The canonical SMILES for 4-amino-2-cyclohexyl-5-propan-2-yl-1H-pyrazol-3-one is CC(C)c1[nH]n(C2CCCCC2)c(=O)c1N.
What is the InChIKey of 4-amino-2-cyclohexyl-5-propan-2-yl-1H-pyrazol-3-one?
The InChIKey is XKUAWWNQEZEJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8(2)11-10(13)12(16)15(14-11)9-6-4-3-5-7-9/h8-9,14H,3-7,13H2,1-2H3.
What are the key properties of 4-amino-2-cyclohexyl-5-propan-2-yl-1H-pyrazol-3-one?
4-amino-2-cyclohexyl-5-propan-2-yl-1H-pyrazol-3-one has a molecular weight of 223.32 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-cyclohexyl-5-propan-2-yl-1H-pyrazol-3-one is sourced from PubChem (CID 103995106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).