2-[4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]pyrazol-1-yl]ethanol

C16H21N3O — CID 64828561

IUPAC2-[4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(CNc2cccc3c2CCCC3)cn1
InChIInChI=1S/C16H21N3O/c20-9-8-19-12-13(11-18-19)10-17-16-7-3-5-14-4-1-2-6-15(14)16/h3,5,7,11-12,17,20H,1-2,4,6,8-10H2
InChIKeyNSILKAWQOZQVBZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.37
Rot. Bonds5

About 2-[4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]pyrazol-1-yl]ethanol

2-[4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]pyrazol-1-yl]ethanol (PubChem CID 64828561) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]pyrazol-1-yl]ethanol
PubChem CID64828561
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(CNc2cccc3c2CCCC3)cn1
InChIInChI=1S/C16H21N3O/c20-9-8-19-12-13(11-18-19)10-17-16-7-3-5-14-4-1-2-6-15(14)16/h3,5,7,11-12,17,20H,1-2,4,6,8-10H2
InChIKeyNSILKAWQOZQVBZ-UHFFFAOYSA-N
XLogP2.37
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 111104553
2-[4-[(2-fluoroanilino)methyl]pyrazol-1-yl]ethanol
CID 64829351
2-[4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]pyrazol-1-yl]ethanol
CID 64831402
2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethanol
CID 28573020
N-[(2-methylpyrazol-3-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43663157
2-[4-[(2,4-dimethylanilino)methyl]pyrazol-1-yl]ethanol
CID 64829341
2-[4-[(3-chloroanilino)methyl]pyrazol-1-yl]ethanol
CID 64830921
2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-N-methylbenzenesulfonamide
CID 64830564
2-[4-[[2-(difluoromethoxy)anilino]methyl]pyrazol-1-yl]ethanol
CID 64831321
2-[4-[(2-thiophen-2-ylanilino)methyl]pyrazol-1-yl]ethanol
CID 64828814
2-[4-[(4-chloro-2-methylanilino)methyl]pyrazol-1-yl]ethanol
CID 64830927
2-[4-[(4-fluoroanilino)methyl]pyrazol-1-yl]ethanol
CID 64828766

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]pyrazol-1-yl]ethanol (CID 64828561) is 2-[4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]pyrazol-1-yl]ethanol is OCCn1cc(CNc2cccc3c2CCCC3)cn1.
What is the InChIKey of 2-[4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]pyrazol-1-yl]ethanol?
The InChIKey is NSILKAWQOZQVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c20-9-8-19-12-13(11-18-19)10-17-16-7-3-5-14-4-1-2-6-15(14)16/h3,5,7,11-12,17,20H,1-2,4,6,8-10H2.
What are the key properties of 2-[4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]pyrazol-1-yl]ethanol?
2-[4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]pyrazol-1-yl]ethanol has a molecular weight of 271.36 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 64828561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).