2-[4-[[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol

C18H32N4O — CID 111469527

IUPAC2-[4-[[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNC1CCN(CC2CCCC2)C1
InChIInChI=1S/C18H32N4O/c1-14-18(15(2)22(20-14)9-10-23)11-19-17-7-8-21(13-17)12-16-5-3-4-6-16/h16-17,19,23H,3-13H2,1-2H3
InChIKeyVSMSXLHZFDTNOW-UHFFFAOYSA-N
MW320.48 g/mol
LogP1.85
Rot. Bonds7

About 2-[4-[[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol

2-[4-[[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol (PubChem CID 111469527) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is 2-[4-[[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
PubChem CID111469527
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name2-[4-[[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNC1CCN(CC2CCCC2)C1
InChIInChI=1S/C18H32N4O/c1-14-18(15(2)22(20-14)9-10-23)11-19-17-7-8-21(13-17)12-16-5-3-4-6-16/h16-17,19,23H,3-13H2,1-2H3
InChIKeyVSMSXLHZFDTNOW-UHFFFAOYSA-N
XLogP1.85
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol (CID 111469527) is 2-[4-[[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol is Cc1nn(CCO)c(C)c1CNC1CCN(CC2CCCC2)C1.
What is the InChIKey of 2-[4-[[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The InChIKey is VSMSXLHZFDTNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c1-14-18(15(2)22(20-14)9-10-23)11-19-17-7-8-21(13-17)12-16-5-3-4-6-16/h16-17,19,23H,3-13H2,1-2H3.
What are the key properties of 2-[4-[[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
2-[4-[[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol has a molecular weight of 320.48 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol is sourced from PubChem (CID 111469527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).