2-[4-[[2-(2-methoxyphenyl)propan-2-ylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol

C18H27N3O2 — CID 110932675

IUPAC2-[4-[[2-(2-methoxyphenyl)propan-2-ylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCOc1ccccc1C(C)(C)NCc1c(C)nn(CCO)c1C
InChIInChI=1S/C18H27N3O2/c1-13-15(14(2)21(20-13)10-11-22)12-19-18(3,4)16-8-6-7-9-17(16)23-5/h6-9,19,22H,10-12H2,1-5H3
InChIKeyMKAJHBIGJKWAKR-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.53
Rot. Bonds7

About 2-[4-[[2-(2-methoxyphenyl)propan-2-ylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol

2-[4-[[2-(2-methoxyphenyl)propan-2-ylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol (PubChem CID 110932675) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-[4-[[2-(2-methoxyphenyl)propan-2-ylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[2-(2-methoxyphenyl)propan-2-ylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
PubChem CID110932675
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-[4-[[2-(2-methoxyphenyl)propan-2-ylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCOc1ccccc1C(C)(C)NCc1c(C)nn(CCO)c1C
InChIInChI=1S/C18H27N3O2/c1-13-15(14(2)21(20-13)10-11-22)12-19-18(3,4)16-8-6-7-9-17(16)23-5/h6-9,19,22H,10-12H2,1-5H3
InChIKeyMKAJHBIGJKWAKR-UHFFFAOYSA-N
XLogP2.53
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3,5-dimethyl-4-[(naphthalen-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 110905723
2-[4-[[3-(difluoromethoxy)anilino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 110905755
N-[(3-tert-butylimidazol-4-yl)methyl]-2-(2-methoxyphenyl)propan-2-amine
CID 58313603
2-[3,5-dimethyl-4-[[(6-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]ethanol
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2-[3,5-dimethyl-4-[(3-prop-2-enoxyanilino)methyl]pyrazol-1-yl]ethanol
CID 110906136
methyl 2-[4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]phenyl]-2-methylpropanoate
CID 110017171
2-[3,5-dimethyl-4-[[(3-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]ethanol
CID 110905689
2-[3,5-dimethyl-4-[(thiophen-2-ylmethylamino)methyl]pyrazol-1-yl]ethanol
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2-[3,5-dimethyl-4-[[3-(3-methylbutoxy)anilino]methyl]pyrazol-1-yl]ethanol
CID 110907633
2-[3,5-dimethyl-4-[(4-pyrazol-1-ylanilino)methyl]pyrazol-1-yl]ethanol
CID 110905750
2-[3,5-dimethyl-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]pyrazol-1-yl]ethanol
CID 47614737
2-[4-[[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 95582527

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(2-methoxyphenyl)propan-2-ylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[2-(2-methoxyphenyl)propan-2-ylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol (CID 110932675) is 2-[4-[[2-(2-methoxyphenyl)propan-2-ylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[2-(2-methoxyphenyl)propan-2-ylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[2-(2-methoxyphenyl)propan-2-ylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol is COc1ccccc1C(C)(C)NCc1c(C)nn(CCO)c1C.
What is the InChIKey of 2-[4-[[2-(2-methoxyphenyl)propan-2-ylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The InChIKey is MKAJHBIGJKWAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13-15(14(2)21(20-13)10-11-22)12-19-18(3,4)16-8-6-7-9-17(16)23-5/h6-9,19,22H,10-12H2,1-5H3.
What are the key properties of 2-[4-[[2-(2-methoxyphenyl)propan-2-ylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
2-[4-[[2-(2-methoxyphenyl)propan-2-ylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol has a molecular weight of 317.43 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(2-methoxyphenyl)propan-2-ylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol is sourced from PubChem (CID 110932675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).