2-[4-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol

C20H31N3O — CID 110905546

IUPAC2-[4-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCCc1ccc(C(NCc2c(C)nn(CCO)c2C)C(C)C)cc1
InChIInChI=1S/C20H31N3O/c1-6-17-7-9-18(10-8-17)20(14(2)3)21-13-19-15(4)22-23(11-12-24)16(19)5/h7-10,14,20-21,24H,6,11-13H2,1-5H3
InChIKeyRXDHCPNQCCDJGW-UHFFFAOYSA-N
MW329.49 g/mol
LogP3.54
Rot. Bonds8

About 2-[4-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol

2-[4-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol (PubChem CID 110905546) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 2-[4-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
PubChem CID110905546
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name2-[4-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCCc1ccc(C(NCc2c(C)nn(CCO)c2C)C(C)C)cc1
InChIInChI=1S/C20H31N3O/c1-6-17-7-9-18(10-8-17)20(14(2)3)21-13-19-15(4)22-23(11-12-24)16(19)5/h7-10,14,20-21,24H,6,11-13H2,1-5H3
InChIKeyRXDHCPNQCCDJGW-UHFFFAOYSA-N
XLogP3.54
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 110905540
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2-[3,5-dimethyl-4-[[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]methyl]pyrazol-1-yl]ethanol
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2-[4-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
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N-[[3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 43647830
(2S)-2-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 111150707
3-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol
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CID 115696021
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[1-(4-ethylphenyl)ethylamino]acetamide
CID 112805090
2-[4-[[1-(1-ethylbenzimidazol-2-yl)ethylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 110908367
2-[3,5-dimethyl-4-[[4-(1-methylpyrrol-2-yl)butan-2-ylamino]methyl]pyrazol-1-yl]ethanol
CID 111468987
2-[3,5-dimethyl-4-[[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]methyl]pyrazol-1-yl]ethanol
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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol (CID 110905546) is 2-[4-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol is CCc1ccc(C(NCc2c(C)nn(CCO)c2C)C(C)C)cc1.
What is the InChIKey of 2-[4-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The InChIKey is RXDHCPNQCCDJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-6-17-7-9-18(10-8-17)20(14(2)3)21-13-19-15(4)22-23(11-12-24)16(19)5/h7-10,14,20-21,24H,6,11-13H2,1-5H3.
What are the key properties of 2-[4-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
2-[4-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol has a molecular weight of 329.49 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol is sourced from PubChem (CID 110905546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).