[3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol

C12H20ClN3O — CID 66058600

IUPAC[3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol
SMILESCCc1nn(C)c(CC2(CO)CCNC2)c1Cl
InChIInChI=1S/C12H20ClN3O/c1-3-9-11(13)10(16(2)15-9)6-12(8-17)4-5-14-7-12/h14,17H,3-8H2,1-2H3
InChIKeyHXBUJUXNIKSNJI-UHFFFAOYSA-N
MW257.76 g/mol
LogP1.15
Rot. Bonds4

About [3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol

[3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 66058600) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is [3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol
PubChem CID66058600
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name[3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol
SMILESCCc1nn(C)c(CC2(CO)CCNC2)c1Cl
InChIInChI=1S/C12H20ClN3O/c1-3-9-11(13)10(16(2)15-9)6-12(8-17)4-5-14-7-12/h14,17H,3-8H2,1-2H3
InChIKeyHXBUJUXNIKSNJI-UHFFFAOYSA-N
XLogP1.15
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]methanol
CID 66026319
[3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 66060514
[4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]piperidin-4-yl]methanol
CID 66024539
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982279
(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol
CID 57359274
N-[[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]methyl]cyclopropanamine
CID 66023800
4-chloro-5-[(2-cyclopropylpyrrolidin-2-yl)methyl]-3-ethyl-1-methylpyrazole
CID 66466493
3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]thiolan-3-ol
CID 79949556
3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2,2-dimethylpropan-1-ol
CID 66026714
[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol
CID 66024947
4-chloro-5-[[1-(chloromethyl)cyclopropyl]methyl]-1,3-diethylpyrazole
CID 66036687
[3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 66058384

Frequently Asked Questions

What is the IUPAC name of [3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol (CID 66058600) is [3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol is CCc1nn(C)c(CC2(CO)CCNC2)c1Cl.
What is the InChIKey of [3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is HXBUJUXNIKSNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O/c1-3-9-11(13)10(16(2)15-9)6-12(8-17)4-5-14-7-12/h14,17H,3-8H2,1-2H3.
What are the key properties of [3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol?
[3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 257.76 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 66058600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).