2-[3-methyl-4-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol

C18H32N4O — CID 70767261

IUPAC2-[3-methyl-4-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)cc1CN1CCC(C(C)N2CCCC2)CC1
InChIInChI=1S/C18H32N4O/c1-15-18(14-22(19-15)11-12-23)13-20-9-5-17(6-10-20)16(2)21-7-3-4-8-21/h14,16-17,23H,3-13H2,1-2H3
InChIKeyIGTPURTXRKGYGA-UHFFFAOYSA-N
MW320.48 g/mol
LogP1.88
Rot. Bonds6

About 2-[3-methyl-4-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol

2-[3-methyl-4-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol (PubChem CID 70767261) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is 2-[3-methyl-4-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-methyl-4-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol
PubChem CID70767261
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name2-[3-methyl-4-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)cc1CN1CCC(C(C)N2CCCC2)CC1
InChIInChI=1S/C18H32N4O/c1-15-18(14-22(19-15)11-12-23)13-20-9-5-17(6-10-20)16(2)21-7-3-4-8-21/h14,16-17,23H,3-13H2,1-2H3
InChIKeyIGTPURTXRKGYGA-UHFFFAOYSA-N
XLogP1.88
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3-methyl-4-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol (CID 70767261) is 2-[3-methyl-4-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-methyl-4-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3-methyl-4-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol is Cc1nn(CCO)cc1CN1CCC(C(C)N2CCCC2)CC1.
What is the InChIKey of 2-[3-methyl-4-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol?
The InChIKey is IGTPURTXRKGYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c1-15-18(14-22(19-15)11-12-23)13-20-9-5-17(6-10-20)16(2)21-7-3-4-8-21/h14,16-17,23H,3-13H2,1-2H3.
What are the key properties of 2-[3-methyl-4-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol?
2-[3-methyl-4-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol has a molecular weight of 320.48 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 70767261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).