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

C19H34N4O — CID 110909251

IUPAC2-[4-[[[1-(cyclopentylmethyl)piperidin-4-yl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNC1CCN(CC2CCCC2)CC1
InChIInChI=1S/C19H34N4O/c1-15-19(16(2)23(21-15)11-12-24)13-20-18-7-9-22(10-8-18)14-17-5-3-4-6-17/h17-18,20,24H,3-14H2,1-2H3
InChIKeyIVGIGCCMWQHPDG-UHFFFAOYSA-N
MW334.51 g/mol
LogP2.24
Rot. Bonds7

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

2-[4-[[[1-(cyclopentylmethyl)piperidin-4-yl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol (PubChem CID 110909251) has the molecular formula C19H34N4O and a molecular weight of 334.51 g/mol. Its IUPAC name is 2-[4-[[[1-(cyclopentylmethyl)piperidin-4-yl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[[1-(cyclopentylmethyl)piperidin-4-yl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
PubChem CID110909251
Molecular FormulaC19H34N4O
Molecular Weight334.51 g/mol
Exact Mass334.27
IUPAC Name2-[4-[[[1-(cyclopentylmethyl)piperidin-4-yl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNC1CCN(CC2CCCC2)CC1
InChIInChI=1S/C19H34N4O/c1-15-19(16(2)23(21-15)11-12-24)13-20-18-7-9-22(10-8-18)14-17-5-3-4-6-17/h17-18,20,24H,3-14H2,1-2H3
InChIKeyIVGIGCCMWQHPDG-UHFFFAOYSA-N
XLogP2.24
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 52.24
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)piperidin-4-yl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[[1-(cyclopentylmethyl)piperidin-4-yl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol (CID 110909251) is 2-[4-[[[1-(cyclopentylmethyl)piperidin-4-yl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[[1-(cyclopentylmethyl)piperidin-4-yl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[[1-(cyclopentylmethyl)piperidin-4-yl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol is Cc1nn(CCO)c(C)c1CNC1CCN(CC2CCCC2)CC1.
What is the InChIKey of 2-[4-[[[1-(cyclopentylmethyl)piperidin-4-yl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The InChIKey is IVGIGCCMWQHPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O/c1-15-19(16(2)23(21-15)11-12-24)13-20-18-7-9-22(10-8-18)14-17-5-3-4-6-17/h17-18,20,24H,3-14H2,1-2H3.
What are the key properties of 2-[4-[[[1-(cyclopentylmethyl)piperidin-4-yl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
2-[4-[[[1-(cyclopentylmethyl)piperidin-4-yl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol has a molecular weight of 334.51 g/mol, XLogP of 2.24, 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)piperidin-4-yl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol is sourced from PubChem (CID 110909251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).