[2-[(1-ethylpyrazol-4-yl)methylamino]cyclopentyl]methanol

C12H21N3O — CID 115655039

IUPAC[2-[(1-ethylpyrazol-4-yl)methylamino]cyclopentyl]methanol
SMILESCCn1cc(CNC2CCCC2CO)cn1
InChIInChI=1S/C12H21N3O/c1-2-15-8-10(7-14-15)6-13-12-5-3-4-11(12)9-16/h7-8,11-13,16H,2-6,9H2,1H3
InChIKeyGDROQGXKDSVHKE-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.15
Rot. Bonds5

About [2-[(1-ethylpyrazol-4-yl)methylamino]cyclopentyl]methanol

[2-[(1-ethylpyrazol-4-yl)methylamino]cyclopentyl]methanol (PubChem CID 115655039) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is [2-[(1-ethylpyrazol-4-yl)methylamino]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[(1-ethylpyrazol-4-yl)methylamino]cyclopentyl]methanol
PubChem CID115655039
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name[2-[(1-ethylpyrazol-4-yl)methylamino]cyclopentyl]methanol
SMILESCCn1cc(CNC2CCCC2CO)cn1
InChIInChI=1S/C12H21N3O/c1-2-15-8-10(7-14-15)6-13-12-5-3-4-11(12)9-16/h7-8,11-13,16H,2-6,9H2,1H3
InChIKeyGDROQGXKDSVHKE-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(chloromethyl)-N-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 106365342
N-[(1-ethylpyrazol-4-yl)methyl]cyclooctanamine
CID 62126333
[2-[[2-amino-1-(1-ethylpyrazol-4-yl)ethyl]amino]cyclopentyl]methanol
CID 114178568
(2R,3S)-N-[(1-ethylpyrazol-4-yl)methyl]-2-(4-methylphenyl)oxan-3-amine
CID 129370432
2-[(1-ethylpyrazol-4-yl)methyl]cyclopentan-1-ol
CID 62127889
2-[(1-ethylpyrazol-4-yl)methyl]-N-methylcycloheptan-1-amine
CID 62126946
N-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpiperidin-4-amine
CID 115622223
N-[(1-ethylpyrazol-4-yl)methyl]oxan-4-amine
CID 62125824
2-(chloromethyl)-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 106365328
(1-ethylpyrazol-4-yl)methylurea
CID 131065199
[2-(1-ethylpyrazol-4-yl)cyclopropyl]methanol
CID 103571107
[2-[(3-propylimidazol-4-yl)methylamino]cyclopentyl]methanol
CID 114178487

Frequently Asked Questions

What is the IUPAC name of [2-[(1-ethylpyrazol-4-yl)methylamino]cyclopentyl]methanol?
The IUPAC name of [2-[(1-ethylpyrazol-4-yl)methylamino]cyclopentyl]methanol (CID 115655039) is [2-[(1-ethylpyrazol-4-yl)methylamino]cyclopentyl]methanol.
What is the SMILES notation for [2-[(1-ethylpyrazol-4-yl)methylamino]cyclopentyl]methanol?
The canonical SMILES for [2-[(1-ethylpyrazol-4-yl)methylamino]cyclopentyl]methanol is CCn1cc(CNC2CCCC2CO)cn1.
What is the InChIKey of [2-[(1-ethylpyrazol-4-yl)methylamino]cyclopentyl]methanol?
The InChIKey is GDROQGXKDSVHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-15-8-10(7-14-15)6-13-12-5-3-4-11(12)9-16/h7-8,11-13,16H,2-6,9H2,1H3.
What are the key properties of [2-[(1-ethylpyrazol-4-yl)methylamino]cyclopentyl]methanol?
[2-[(1-ethylpyrazol-4-yl)methylamino]cyclopentyl]methanol has a molecular weight of 223.32 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-ethylpyrazol-4-yl)methylamino]cyclopentyl]methanol is sourced from PubChem (CID 115655039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).