2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol

C13H22ClN3O — CID 62356478

IUPAC2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol
SMILESCc1nn(C)c(Cl)c1CN1CCCC(CCO)C1
InChIInChI=1S/C13H22ClN3O/c1-10-12(13(14)16(2)15-10)9-17-6-3-4-11(8-17)5-7-18/h11,18H,3-9H2,1-2H3
InChIKeyMIGUXXFZLTWXAH-UHFFFAOYSA-N
MW271.79 g/mol
LogP1.98
Rot. Bonds4

About 2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol

2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol (PubChem CID 62356478) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is 2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol
PubChem CID62356478
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC Name2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol
SMILESCc1nn(C)c(Cl)c1CN1CCCC(CCO)C1
InChIInChI=1S/C13H22ClN3O/c1-10-12(13(14)16(2)15-10)9-17-6-3-4-11(8-17)5-7-18/h11,18H,3-9H2,1-2H3
InChIKeyMIGUXXFZLTWXAH-UHFFFAOYSA-N
XLogP1.98
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole
CID 115688533
[1-[[(3R)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol
CID 28906323
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 54920320
5-chloro-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazole
CID 61224422
3-[(3S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-[(3,4-difluorophenyl)methyl]propanamide
CID 25379410
3-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(3-chloro-4-methoxyphenyl)propanamide
CID 45200156
2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]ethanol
CID 112734344
4-chloro-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-methylpiperidine
CID 114682232
[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine
CID 19623272
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,4-diazepane
CID 54918224
4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-1,4-oxazepane
CID 114217691
ethyl 4-[(3S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate
CID 29219326

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol (CID 62356478) is 2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol is Cc1nn(C)c(Cl)c1CN1CCCC(CCO)C1.
What is the InChIKey of 2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol?
The InChIKey is MIGUXXFZLTWXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O/c1-10-12(13(14)16(2)15-10)9-17-6-3-4-11(8-17)5-7-18/h11,18H,3-9H2,1-2H3.
What are the key properties of 2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol?
2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol has a molecular weight of 271.79 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 62356478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).