[2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol

C14H24ClN3O — CID 79581749

IUPAC[2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol
SMILESCCNC1(CO)CCCC1CCn1ncc(Cl)c1C
InChIInChI=1S/C14H24ClN3O/c1-3-16-14(10-19)7-4-5-12(14)6-8-18-11(2)13(15)9-17-18/h9,12,16,19H,3-8,10H2,1-2H3
InChIKeyZCCRTSCLNUWURV-UHFFFAOYSA-N
MW285.82 g/mol
LogP2.38
Rot. Bonds6

About [2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol

[2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol (PubChem CID 79581749) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is [2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol
PubChem CID79581749
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC Name[2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol
SMILESCCNC1(CO)CCCC1CCn1ncc(Cl)c1C
InChIInChI=1S/C14H24ClN3O/c1-3-16-14(10-19)7-4-5-12(14)6-8-18-11(2)13(15)9-17-18/h9,12,16,19H,3-8,10H2,1-2H3
InChIKeyZCCRTSCLNUWURV-UHFFFAOYSA-N
XLogP2.38
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79571861
2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79572696
[2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol
CID 79571749
methyl 1-amino-2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate
CID 79571435
ethyl 2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 79568445
[1-(ethylamino)-2-(2-imidazol-1-ylethyl)cyclopentyl]methanol
CID 79571967
[1-(ethylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentyl]methanol
CID 79581796
[1-(methylamino)-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentyl]methanol
CID 79581366
[2-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol
CID 79570944
[2-[2-(3,5-diethylpyrazol-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol
CID 82700707
[1-(ethylamino)-2-(2-pyridin-2-ylsulfanylethyl)cyclopentyl]methanol
CID 79581411
[2-(2-butan-2-ylsulfanylethyl)-1-(ethylamino)cyclopentyl]methanol
CID 79582042

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol?
The IUPAC name of [2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol (CID 79581749) is [2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol?
The canonical SMILES for [2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol is CCNC1(CO)CCCC1CCn1ncc(Cl)c1C.
What is the InChIKey of [2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol?
The InChIKey is ZCCRTSCLNUWURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O/c1-3-16-14(10-19)7-4-5-12(14)6-8-18-11(2)13(15)9-17-18/h9,12,16,19H,3-8,10H2,1-2H3.
What are the key properties of [2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol?
[2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol has a molecular weight of 285.82 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol is sourced from PubChem (CID 79581749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).