2-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol

C16H26ClN3O — CID 114339257

IUPAC2-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
SMILESCCc1nn(C)c(CN2CCCC2C2CCCC2O)c1Cl
InChIInChI=1S/C16H26ClN3O/c1-3-12-16(17)14(19(2)18-12)10-20-9-5-7-13(20)11-6-4-8-15(11)21/h11,13,15,21H,3-10H2,1-2H3
InChIKeyRXEGJYSCFYVJMU-UHFFFAOYSA-N
MW311.86 g/mol
LogP2.76
Rot. Bonds4

About 2-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol

2-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol (PubChem CID 114339257) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is 2-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
PubChem CID114339257
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Name2-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
SMILESCCc1nn(C)c(CN2CCCC2C2CCCC2O)c1Cl
InChIInChI=1S/C16H26ClN3O/c1-3-12-16(17)14(19(2)18-12)10-20-9-5-7-13(20)11-6-4-8-15(11)21/h11,13,15,21H,3-10H2,1-2H3
InChIKeyRXEGJYSCFYVJMU-UHFFFAOYSA-N
XLogP2.76
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol?
The IUPAC name of 2-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol (CID 114339257) is 2-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol is CCc1nn(C)c(CN2CCCC2C2CCCC2O)c1Cl.
What is the InChIKey of 2-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol?
The InChIKey is RXEGJYSCFYVJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-3-12-16(17)14(19(2)18-12)10-20-9-5-7-13(20)11-6-4-8-15(11)21/h11,13,15,21H,3-10H2,1-2H3.
What are the key properties of 2-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol?
2-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol has a molecular weight of 311.86 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol is sourced from PubChem (CID 114339257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).