2-[4-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanol

C18H23N3O2 — CID 56706900

IUPAC2-[4-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanol
SMILESCOc1cccc(Cn2cc(C3=CCN(CCO)CC3)cn2)c1
InChIInChI=1S/C18H23N3O2/c1-23-18-4-2-3-15(11-18)13-21-14-17(12-19-21)16-5-7-20(8-6-16)9-10-22/h2-5,11-12,14,22H,6-10,13H2,1H3
InChIKeyFILJCRFRFDPARB-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.02
Rot. Bonds6

About 2-[4-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanol

2-[4-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanol (PubChem CID 56706900) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[4-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanol
PubChem CID56706900
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-[4-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanol
SMILESCOc1cccc(Cn2cc(C3=CCN(CCO)CC3)cn2)c1
InChIInChI=1S/C18H23N3O2/c1-23-18-4-2-3-15(11-18)13-21-14-17(12-19-21)16-5-7-20(8-6-16)9-10-22/h2-5,11-12,14,22H,6-10,13H2,1H3
InChIKeyFILJCRFRFDPARB-UHFFFAOYSA-N
XLogP2.02
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanol?
The IUPAC name of 2-[4-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanol (CID 56706900) is 2-[4-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanol?
The canonical SMILES for 2-[4-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanol is COc1cccc(Cn2cc(C3=CCN(CCO)CC3)cn2)c1.
What is the InChIKey of 2-[4-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanol?
The InChIKey is FILJCRFRFDPARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-23-18-4-2-3-15(11-18)13-21-14-17(12-19-21)16-5-7-20(8-6-16)9-10-22/h2-5,11-12,14,22H,6-10,13H2,1H3.
What are the key properties of 2-[4-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanol?
2-[4-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanol has a molecular weight of 313.40 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanol is sourced from PubChem (CID 56706900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).