2-(aminomethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-ol

C17H25N3O — CID 106506152

IUPAC2-(aminomethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-ol
SMILESCCn1nc(C)cc1CC(CN)(CO)c1ccccc1C
InChIInChI=1S/C17H25N3O/c1-4-20-15(9-14(3)19-20)10-17(11-18,12-21)16-8-6-5-7-13(16)2/h5-9,21H,4,10-12,18H2,1-3H3
InChIKeyKYEMUTXESFNXII-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.95
Rot. Bonds6

About 2-(aminomethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-ol

2-(aminomethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-ol (PubChem CID 106506152) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-ol
PubChem CID106506152
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-(aminomethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-ol
SMILESCCn1nc(C)cc1CC(CN)(CO)c1ccccc1C
InChIInChI=1S/C17H25N3O/c1-4-20-15(9-14(3)19-20)10-17(11-18,12-21)16-8-6-5-7-13(16)2/h5-9,21H,4,10-12,18H2,1-3H3
InChIKeyKYEMUTXESFNXII-UHFFFAOYSA-N
XLogP1.95
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]propane-1,3-diol
CID 79445106
2-(aminomethyl)-3-(2-ethyl-1,2,4-triazol-3-yl)-2-(2-methylphenyl)propan-1-ol
CID 106506110
2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-(4-methylphenyl)propane-1,3-diol
CID 79444422
2-(aminomethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)-2-methylpropanoic acid
CID 106487287
3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine
CID 79420760
2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66059722
2-ethyl-2-(2-methylphenyl)butan-1-amine
CID 60987168
5-[3-chloro-2-(chloromethyl)-2-(4-methylphenyl)propyl]-1-ethyl-3-methylpyrazole
CID 79446601
5-[3-bromo-2-(bromomethyl)-2-(3-bromophenyl)propyl]-1-ethyl-3-methylpyrazole
CID 79444052
5-[3-bromo-2-(bromomethyl)-2-(4-bromophenyl)propyl]-1-ethyl-3-methylpyrazole
CID 79443805
5-[2-(chloromethyl)-2-ethylbutyl]-1-ethyl-3-methylpyrazole
CID 66035159
5-[(2,6-dimethylphenoxy)methyl]-1-ethyl-3-methylpyrazole
CID 83057632

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-ol (CID 106506152) is 2-(aminomethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-ol is CCn1nc(C)cc1CC(CN)(CO)c1ccccc1C.
What is the InChIKey of 2-(aminomethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-ol?
The InChIKey is KYEMUTXESFNXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-20-15(9-14(3)19-20)10-17(11-18,12-21)16-8-6-5-7-13(16)2/h5-9,21H,4,10-12,18H2,1-3H3.
What are the key properties of 2-(aminomethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-ol?
2-(aminomethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-ol has a molecular weight of 287.41 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 106506152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).