4-amino-2-(2-hydroxycyclohexyl)-5-methyl-1H-pyrazol-3-one

C10H17N3O2 — CID 103995222

IUPAC4-amino-2-(2-hydroxycyclohexyl)-5-methyl-1H-pyrazol-3-one
SMILESCc1[nH]n(C2CCCCC2O)c(=O)c1N
InChIInChI=1S/C10H17N3O2/c1-6-9(11)10(15)13(12-6)7-4-2-3-5-8(7)14/h7-8,12,14H,2-5,11H2,1H3
InChIKeyIHWGQDRTTBGDNF-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.54
Rot. Bonds1

About 4-amino-2-(2-hydroxycyclohexyl)-5-methyl-1H-pyrazol-3-one

4-amino-2-(2-hydroxycyclohexyl)-5-methyl-1H-pyrazol-3-one (PubChem CID 103995222) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-amino-2-(2-hydroxycyclohexyl)-5-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-(2-hydroxycyclohexyl)-5-methyl-1H-pyrazol-3-one
PubChem CID103995222
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-amino-2-(2-hydroxycyclohexyl)-5-methyl-1H-pyrazol-3-one
SMILESCc1[nH]n(C2CCCCC2O)c(=O)c1N
InChIInChI=1S/C10H17N3O2/c1-6-9(11)10(15)13(12-6)7-4-2-3-5-8(7)14/h7-8,12,14H,2-5,11H2,1H3
InChIKeyIHWGQDRTTBGDNF-UHFFFAOYSA-N
XLogP0.54
TPSA84.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxycyclohexyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 66022955
2-(2-hydroxycyclohexyl)-5-methyl-1H-pyrazol-3-one
CID 66022135
2-(2-hydroxycyclohexyl)-5-propyl-1H-pyrazol-3-one
CID 66022338
4-ethyl-2-(2-hydroxycyclohexyl)-5-methyl-1H-pyrazol-3-one
CID 66022341
5-ethyl-2-(2-hydroxycyclohexyl)-1H-pyrazol-3-one
CID 66022541
5-ethyl-2-(2-hydroxycyclohexyl)-4-methyl-1H-pyrazol-3-one
CID 66022957
2-(2-hydroxycyclohexyl)-4,5-dimethyl-1H-pyrazol-3-one
CID 66023160
4-bromo-2-(2-hydroxycyclohexyl)-5-methyl-1H-pyrazol-3-one
CID 80143898
4-bromo-5-ethyl-2-(2-hydroxycyclohexyl)-1H-pyrazol-3-one
CID 80144030
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 102634958
4-amino-2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one
CID 103995213
4-amino-2-(2-hydroxycyclohexyl)-5-propyl-1H-pyrazol-3-one
CID 103995223

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-hydroxycyclohexyl)-5-methyl-1H-pyrazol-3-one?
The IUPAC name of 4-amino-2-(2-hydroxycyclohexyl)-5-methyl-1H-pyrazol-3-one (CID 103995222) is 4-amino-2-(2-hydroxycyclohexyl)-5-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-amino-2-(2-hydroxycyclohexyl)-5-methyl-1H-pyrazol-3-one?
The canonical SMILES for 4-amino-2-(2-hydroxycyclohexyl)-5-methyl-1H-pyrazol-3-one is Cc1[nH]n(C2CCCCC2O)c(=O)c1N.
What is the InChIKey of 4-amino-2-(2-hydroxycyclohexyl)-5-methyl-1H-pyrazol-3-one?
The InChIKey is IHWGQDRTTBGDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-6-9(11)10(15)13(12-6)7-4-2-3-5-8(7)14/h7-8,12,14H,2-5,11H2,1H3.
What are the key properties of 4-amino-2-(2-hydroxycyclohexyl)-5-methyl-1H-pyrazol-3-one?
4-amino-2-(2-hydroxycyclohexyl)-5-methyl-1H-pyrazol-3-one has a molecular weight of 211.26 g/mol, XLogP of 0.54, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-hydroxycyclohexyl)-5-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 103995222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).