2-[(3-methylcyclopentyl)amino]-2-(1-methylpyrazol-4-yl)ethanol

C12H21N3O — CID 115896727

IUPAC2-[(3-methylcyclopentyl)amino]-2-(1-methylpyrazol-4-yl)ethanol
SMILESCC1CCC(NC(CO)c2cnn(C)c2)C1
InChIInChI=1S/C12H21N3O/c1-9-3-4-11(5-9)14-12(8-16)10-6-13-15(2)7-10/h6-7,9,11-12,14,16H,3-5,8H2,1-2H3
InChIKeyKGOARTJBGKCRGU-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.23
Rot. Bonds4

About 2-[(3-methylcyclopentyl)amino]-2-(1-methylpyrazol-4-yl)ethanol

2-[(3-methylcyclopentyl)amino]-2-(1-methylpyrazol-4-yl)ethanol (PubChem CID 115896727) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[(3-methylcyclopentyl)amino]-2-(1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-[(3-methylcyclopentyl)amino]-2-(1-methylpyrazol-4-yl)ethanol
PubChem CID115896727
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[(3-methylcyclopentyl)amino]-2-(1-methylpyrazol-4-yl)ethanol
SMILESCC1CCC(NC(CO)c2cnn(C)c2)C1
InChIInChI=1S/C12H21N3O/c1-9-3-4-11(5-9)14-12(8-16)10-6-13-15(2)7-10/h6-7,9,11-12,14,16H,3-5,8H2,1-2H3
InChIKeyKGOARTJBGKCRGU-UHFFFAOYSA-N
XLogP1.23
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylcyclopentyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 114544603
2-(cyclopropylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol
CID 61055041
2-(2-methylbutylamino)-2-(1-methylpyrazol-4-yl)ethanol
CID 115888089
1-(4-methylcyclohexyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 71868289
(2S)-2-[(3-methylcyclopentyl)amino]propan-1-ol
CID 103773858
3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]cyclopentan-1-amine
CID 115653177
(2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol
CID 93471722
N-[1-(1-methylpyrazol-4-yl)propyl]cyclohex-2-en-1-amine
CID 115893687
2-(4-bromoanilino)-2-(1-methylpyrazol-4-yl)ethanol
CID 61049265
(1R)-N,N-dimethyl-N'-[(4-methylcyclohexyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 97329473
1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497248
2-(1,3-dioxolan-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 103546459

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylcyclopentyl)amino]-2-(1-methylpyrazol-4-yl)ethanol?
The IUPAC name of 2-[(3-methylcyclopentyl)amino]-2-(1-methylpyrazol-4-yl)ethanol (CID 115896727) is 2-[(3-methylcyclopentyl)amino]-2-(1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-[(3-methylcyclopentyl)amino]-2-(1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-[(3-methylcyclopentyl)amino]-2-(1-methylpyrazol-4-yl)ethanol is CC1CCC(NC(CO)c2cnn(C)c2)C1.
What is the InChIKey of 2-[(3-methylcyclopentyl)amino]-2-(1-methylpyrazol-4-yl)ethanol?
The InChIKey is KGOARTJBGKCRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9-3-4-11(5-9)14-12(8-16)10-6-13-15(2)7-10/h6-7,9,11-12,14,16H,3-5,8H2,1-2H3.
What are the key properties of 2-[(3-methylcyclopentyl)amino]-2-(1-methylpyrazol-4-yl)ethanol?
2-[(3-methylcyclopentyl)amino]-2-(1-methylpyrazol-4-yl)ethanol has a molecular weight of 223.32 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylcyclopentyl)amino]-2-(1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 115896727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).