1-cyclopentyl-2-[(2-methylpyrazol-3-yl)methylamino]ethanol

C12H21N3O — CID 115671255

IUPAC1-cyclopentyl-2-[(2-methylpyrazol-3-yl)methylamino]ethanol
SMILESCn1nccc1CNCC(O)C1CCCC1
InChIInChI=1S/C12H21N3O/c1-15-11(6-7-14-15)8-13-9-12(16)10-4-2-3-5-10/h6-7,10,12-13,16H,2-5,8-9H2,1H3
InChIKeyLTNUSMWNBGGBFO-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.06
Rot. Bonds5

About 1-cyclopentyl-2-[(2-methylpyrazol-3-yl)methylamino]ethanol

1-cyclopentyl-2-[(2-methylpyrazol-3-yl)methylamino]ethanol (PubChem CID 115671255) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-cyclopentyl-2-[(2-methylpyrazol-3-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-cyclopentyl-2-[(2-methylpyrazol-3-yl)methylamino]ethanol
PubChem CID115671255
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-cyclopentyl-2-[(2-methylpyrazol-3-yl)methylamino]ethanol
SMILESCn1nccc1CNCC(O)C1CCCC1
InChIInChI=1S/C12H21N3O/c1-15-11(6-7-14-15)8-13-9-12(16)10-4-2-3-5-10/h6-7,10,12-13,16H,2-5,8-9H2,1H3
InChIKeyLTNUSMWNBGGBFO-UHFFFAOYSA-N
XLogP1.06
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol
CID 103157779
1-cyclooctyl-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103008398
1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 43663124
2-cyclohexyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]acetic acid
CID 63303976
2-cyclopentyloxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 63001881
2-[(2-methylpyrazol-3-yl)methylamino]cycloheptan-1-ol
CID 63301961
N-[(2-methylpyrazol-3-yl)methyl]-1-(thian-4-yl)methanamine
CID 115671236
N-[(2-methylpyrazol-3-yl)methyl]-1-piperidin-4-ylmethanamine
CID 79707316
2-[(2-methylpyrazol-3-yl)methylamino]-1-thiophen-2-ylethanol
CID 63302557
tert-butyl N-[2-cyclopentyl-2-[(2-methylpyrazol-3-yl)methylamino]ethyl]carbamate
CID 106834289
N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 60920797
1-cyclohexyl-2-(furan-3-ylmethylamino)ethanol;hydrochloride
CID 115608900

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[(2-methylpyrazol-3-yl)methylamino]ethanol?
The IUPAC name of 1-cyclopentyl-2-[(2-methylpyrazol-3-yl)methylamino]ethanol (CID 115671255) is 1-cyclopentyl-2-[(2-methylpyrazol-3-yl)methylamino]ethanol.
What is the SMILES notation for 1-cyclopentyl-2-[(2-methylpyrazol-3-yl)methylamino]ethanol?
The canonical SMILES for 1-cyclopentyl-2-[(2-methylpyrazol-3-yl)methylamino]ethanol is Cn1nccc1CNCC(O)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[(2-methylpyrazol-3-yl)methylamino]ethanol?
The InChIKey is LTNUSMWNBGGBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-15-11(6-7-14-15)8-13-9-12(16)10-4-2-3-5-10/h6-7,10,12-13,16H,2-5,8-9H2,1H3.
What are the key properties of 1-cyclopentyl-2-[(2-methylpyrazol-3-yl)methylamino]ethanol?
1-cyclopentyl-2-[(2-methylpyrazol-3-yl)methylamino]ethanol has a molecular weight of 223.32 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[(2-methylpyrazol-3-yl)methylamino]ethanol is sourced from PubChem (CID 115671255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).