2-[4-[[(2-cyclopentyloxy-3-pyridinyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol

C19H28N4O2 — CID 47615834

IUPAC2-[4-[[(2-cyclopentyloxy-3-pyridinyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNCc1cccnc1OC1CCCC1
InChIInChI=1S/C19H28N4O2/c1-14-18(15(2)23(22-14)10-11-24)13-20-12-16-6-5-9-21-19(16)25-17-7-3-4-8-17/h5-6,9,17,20,24H,3-4,7-8,10-13H2,1-2H3
InChIKeyWJDUKUPWCRLTNW-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.50
Rot. Bonds8

About 2-[4-[[(2-cyclopentyloxy-3-pyridinyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol

2-[4-[[(2-cyclopentyloxy-3-pyridinyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol (PubChem CID 47615834) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[4-[[(2-cyclopentyloxy-3-pyridinyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[(2-cyclopentyloxy-3-pyridinyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
PubChem CID47615834
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name2-[4-[[(2-cyclopentyloxy-3-pyridinyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNCc1cccnc1OC1CCCC1
InChIInChI=1S/C19H28N4O2/c1-14-18(15(2)23(22-14)10-11-24)13-20-12-16-6-5-9-21-19(16)25-17-7-3-4-8-17/h5-6,9,17,20,24H,3-4,7-8,10-13H2,1-2H3
InChIKeyWJDUKUPWCRLTNW-UHFFFAOYSA-N
XLogP2.50
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2-cyclopentyloxy-3-pyridinyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[(2-cyclopentyloxy-3-pyridinyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol (CID 47615834) is 2-[4-[[(2-cyclopentyloxy-3-pyridinyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[(2-cyclopentyloxy-3-pyridinyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[(2-cyclopentyloxy-3-pyridinyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol is Cc1nn(CCO)c(C)c1CNCc1cccnc1OC1CCCC1.
What is the InChIKey of 2-[4-[[(2-cyclopentyloxy-3-pyridinyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The InChIKey is WJDUKUPWCRLTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-14-18(15(2)23(22-14)10-11-24)13-20-12-16-6-5-9-21-19(16)25-17-7-3-4-8-17/h5-6,9,17,20,24H,3-4,7-8,10-13H2,1-2H3.
What are the key properties of 2-[4-[[(2-cyclopentyloxy-3-pyridinyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
2-[4-[[(2-cyclopentyloxy-3-pyridinyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol has a molecular weight of 344.46 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2-cyclopentyloxy-3-pyridinyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol is sourced from PubChem (CID 47615834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).