2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methylamino]-2-methylpropan-1-ol

C16H23N3O — CID 42518974

IUPAC2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methylamino]-2-methylpropan-1-ol
SMILESCc1ccc(-c2[nH]ncc2CNC(C)(C)CO)cc1C
InChIInChI=1S/C16H23N3O/c1-11-5-6-13(7-12(11)2)15-14(9-18-19-15)8-17-16(3,4)10-20/h5-7,9,17,20H,8,10H2,1-4H3,(H,18,19)
InChIKeyYFRFUESOBCUPHH-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.55
Rot. Bonds5

About 2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methylamino]-2-methylpropan-1-ol

2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methylamino]-2-methylpropan-1-ol (PubChem CID 42518974) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methylamino]-2-methylpropan-1-ol
PubChem CID42518974
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methylamino]-2-methylpropan-1-ol
SMILESCc1ccc(-c2[nH]ncc2CNC(C)(C)CO)cc1C
InChIInChI=1S/C16H23N3O/c1-11-5-6-13(7-12(11)2)15-14(9-18-19-15)8-17-16(3,4)10-20/h5-7,9,17,20H,8,10H2,1-4H3,(H,18,19)
InChIKeyYFRFUESOBCUPHH-UHFFFAOYSA-N
XLogP2.55
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 79484672
N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 4653228
2-methyl-N-[[5-(4-methyl-3-nitrophenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 79490632
N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]adamantan-1-amine
CID 4034866
1-[4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 74229930
N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-(4-fluorophenyl)-1-pyridin-4-ylmethanamine
CID 45218220
N-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 79485257
2-(hydroxymethyl)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propane-1,3-diol
CID 107850384
2,4,4-trimethyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pentan-2-amine
CID 43788231
N-[[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 79484927
ethyl 4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazine-1-carboxylate
CID 25285258
N-[[5-(4-methyl-3-nitrophenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 79485569

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methylamino]-2-methylpropan-1-ol (CID 42518974) is 2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methylamino]-2-methylpropan-1-ol is Cc1ccc(-c2[nH]ncc2CNC(C)(C)CO)cc1C.
What is the InChIKey of 2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methylamino]-2-methylpropan-1-ol?
The InChIKey is YFRFUESOBCUPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11-5-6-13(7-12(11)2)15-14(9-18-19-15)8-17-16(3,4)10-20/h5-7,9,17,20H,8,10H2,1-4H3,(H,18,19).
What are the key properties of 2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methylamino]-2-methylpropan-1-ol?
2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methylamino]-2-methylpropan-1-ol has a molecular weight of 273.38 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 42518974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).