[3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol

C13H22ClN3O — CID 66060514

IUPAC[3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol
SMILESCCc1nn(CC)c(CC2(CO)CCNC2)c1Cl
InChIInChI=1S/C13H22ClN3O/c1-3-10-12(14)11(17(4-2)16-10)7-13(9-18)5-6-15-8-13/h15,18H,3-9H2,1-2H3
InChIKeyQFVICFPIVVQWEW-UHFFFAOYSA-N
MW271.79 g/mol
LogP1.63
Rot. Bonds5

About [3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol

[3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 66060514) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is [3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol
PubChem CID66060514
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC Name[3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol
SMILESCCc1nn(CC)c(CC2(CO)CCNC2)c1Cl
InChIInChI=1S/C13H22ClN3O/c1-3-10-12(14)11(17(4-2)16-10)7-13(9-18)5-6-15-8-13/h15,18H,3-9H2,1-2H3
InChIKeyQFVICFPIVVQWEW-UHFFFAOYSA-N
XLogP1.63
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-Chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine
CID 103392385
4-[(4-Chloro-1,3-diethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine
CID 103392485
4-[(4-Chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine
CID 103392532
4-Chloro-1-ethyl-5-[(3-fluoropyrrolidin-3-yl)methyl]-3-methylpyrazole
CID 112564267
4-Chloro-3-ethyl-5-[(3-fluoropyrrolidin-3-yl)methyl]-1-methylpyrazole
CID 112564278
4-Chloro-1,3-diethyl-5-[(3-fluoropyrrolidin-3-yl)methyl]pyrazole
CID 112564408
4-[(4-Chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-fluoro-5-methoxypentan-1-amine
CID 113810911
(3S,5S)-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 69931537
5-[(1,3,5-Trimethylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 77745832
6-(4-Chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(methylamino)hexan-1-ol
CID 64808769
6-(4-Chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64810240
6-(4-Chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylhexan-1-ol
CID 64810863

Frequently Asked Questions

What is the IUPAC name of [3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol (CID 66060514) is [3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol is CCc1nn(CC)c(CC2(CO)CCNC2)c1Cl.
What is the InChIKey of [3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is QFVICFPIVVQWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O/c1-3-10-12(14)11(17(4-2)16-10)7-13(9-18)5-6-15-8-13/h15,18H,3-9H2,1-2H3.
What are the key properties of [3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol?
[3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 271.79 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 66060514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).