[(1S)-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-yl]methanol

C18H25N3O — CID 125141383

IUPAC[(1S)-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-yl]methanol
SMILESCC(C)n1cc(CN[C@@]2(CO)CCCc3ccccc32)cn1
InChIInChI=1S/C18H25N3O/c1-14(2)21-12-15(11-20-21)10-19-18(13-22)9-5-7-16-6-3-4-8-17(16)18/h3-4,6,8,11-12,14,19,22H,5,7,9-10,13H2,1-2H3/t18-/m1/s1
InChIKeyFQOOTLWBIZZWSP-GOSISDBHSA-N
MW299.42 g/mol
LogP2.78
Rot. Bonds5

About [(1S)-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-yl]methanol

[(1S)-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-yl]methanol (PubChem CID 125141383) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is [(1S)-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-yl]methanol.

Molecular Properties

Compound Name[(1S)-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-yl]methanol
PubChem CID125141383
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name[(1S)-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-yl]methanol
SMILESCC(C)n1cc(CN[C@@]2(CO)CCCc3ccccc32)cn1
InChIInChI=1S/C18H25N3O/c1-14(2)21-12-15(11-20-21)10-19-18(13-22)9-5-7-16-6-3-4-8-17(16)18/h3-4,6,8,11-12,14,19,22H,5,7,9-10,13H2,1-2H3/t18-/m1/s1
InChIKeyFQOOTLWBIZZWSP-GOSISDBHSA-N
XLogP2.78
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R,3S)-1-amino-3-[(6S)-6-[2-(1-methylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 124142424
3-(4-Fluorophenyl)-2-(3-pyrazol-1-ylpropylamino)propan-1-ol
CID 155119483
(2S)-2-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-2-phenylethanol
CID 75428123
1-[[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
CID 75469015
(1S*,2R*)-2-{methyl[2-(1H-pyrazol-1-ylmethyl)benzyl]amino}cyclohexanol
CID 77088737
[(1R,4S)-4-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]cyclopent-2-en-1-yl]methanol
CID 86787511
(2R,3S)-4-(3,5-difluorophenyl)-1-[[(1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-3-[(1-methylpyrazol-4-yl)amino]butan-2-ol
CID 59599078
4-(3,5-Difluorophenyl)-1-[(7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-[(1-methylpyrazol-4-yl)amino]butan-2-ol
CID 59599172
1-[[1-(3-Tert-butylphenyl)cyclohexyl]amino]-4-(3,5-difluorophenyl)-3-(1-methylpyrazol-4-yl)butan-2-ol
CID 59599217
(2R,3S)-4-(3,5-difluorophenyl)-1-[(3-ethylphenyl)methylamino]-3-pyrazol-1-ylbutan-2-ol
CID 68608749
(2R,3S)-3-amino-4-phenyl-1-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methylamino]butan-2-ol
CID 69145565
1-{amino[3-(1-ethyl-1H-pyrazol-4-yl)phenyl]methyl}-4,4-difluorocyclohexanol
CID 121280902

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-yl]methanol?
The IUPAC name of [(1S)-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-yl]methanol (CID 125141383) is [(1S)-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-yl]methanol.
What is the SMILES notation for [(1S)-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-yl]methanol?
The canonical SMILES for [(1S)-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-yl]methanol is CC(C)n1cc(CN[C@@]2(CO)CCCc3ccccc32)cn1.
What is the InChIKey of [(1S)-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-yl]methanol?
The InChIKey is FQOOTLWBIZZWSP-GOSISDBHSA-N. The full InChI is InChI=1S/C18H25N3O/c1-14(2)21-12-15(11-20-21)10-19-18(13-22)9-5-7-16-6-3-4-8-17(16)18/h3-4,6,8,11-12,14,19,22H,5,7,9-10,13H2,1-2H3/t18-/m1/s1.
What are the key properties of [(1S)-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-yl]methanol?
[(1S)-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-yl]methanol has a molecular weight of 299.42 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-yl]methanol is sourced from PubChem (CID 125141383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).