4-(aminomethyl)-5-methyl-1-(2-methylpyrazol-3-yl)hexan-3-ol

C12H23N3O — CID 107443168

IUPAC4-(aminomethyl)-5-methyl-1-(2-methylpyrazol-3-yl)hexan-3-ol
SMILESCC(C)C(CN)C(O)CCc1ccnn1C
InChIInChI=1S/C12H23N3O/c1-9(2)11(8-13)12(16)5-4-10-6-7-14-15(10)3/h6-7,9,11-12,16H,4-5,8,13H2,1-3H3
InChIKeyWFCBHWAFJJYACN-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.94
Rot. Bonds6

About 4-(aminomethyl)-5-methyl-1-(2-methylpyrazol-3-yl)hexan-3-ol

4-(aminomethyl)-5-methyl-1-(2-methylpyrazol-3-yl)hexan-3-ol (PubChem CID 107443168) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-(aminomethyl)-5-methyl-1-(2-methylpyrazol-3-yl)hexan-3-ol.

Molecular Properties

Compound Name4-(aminomethyl)-5-methyl-1-(2-methylpyrazol-3-yl)hexan-3-ol
PubChem CID107443168
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4-(aminomethyl)-5-methyl-1-(2-methylpyrazol-3-yl)hexan-3-ol
SMILESCC(C)C(CN)C(O)CCc1ccnn1C
InChIInChI=1S/C12H23N3O/c1-9(2)11(8-13)12(16)5-4-10-6-7-14-15(10)3/h6-7,9,11-12,16H,4-5,8,13H2,1-3H3
InChIKeyWFCBHWAFJJYACN-UHFFFAOYSA-N
XLogP0.94
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(2-methylpyrazol-3-yl)hexane-3,4-diol
CID 103454643
2-methyl-6-(2-methylpyrazol-3-yl)hexan-3-ol
CID 103013814
4-methoxy-1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 103008347
3-(aminomethyl)-3-methyl-5-(2-methylpyrazol-3-yl)pentan-2-ol
CID 103017437
1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 64516316
1-(2-methylpyrazol-3-yl)-4-phenylpentan-3-ol
CID 103006232
(2R)-1,1,1-trifluoro-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008517
5-(3-bromobutyl)-1-methylpyrazole
CID 64509819
5-(3-chlorobutyl)-1-methylpyrazole
CID 64514221
2-methyl-4-(2-methylpyrazol-3-yl)butanoic acid
CID 103005024
5-methyl-1-(2-methylpyrazol-3-yl)heptan-3-ol
CID 103028111

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-methyl-1-(2-methylpyrazol-3-yl)hexan-3-ol?
The IUPAC name of 4-(aminomethyl)-5-methyl-1-(2-methylpyrazol-3-yl)hexan-3-ol (CID 107443168) is 4-(aminomethyl)-5-methyl-1-(2-methylpyrazol-3-yl)hexan-3-ol.
What is the SMILES notation for 4-(aminomethyl)-5-methyl-1-(2-methylpyrazol-3-yl)hexan-3-ol?
The canonical SMILES for 4-(aminomethyl)-5-methyl-1-(2-methylpyrazol-3-yl)hexan-3-ol is CC(C)C(CN)C(O)CCc1ccnn1C.
What is the InChIKey of 4-(aminomethyl)-5-methyl-1-(2-methylpyrazol-3-yl)hexan-3-ol?
The InChIKey is WFCBHWAFJJYACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9(2)11(8-13)12(16)5-4-10-6-7-14-15(10)3/h6-7,9,11-12,16H,4-5,8,13H2,1-3H3.
What are the key properties of 4-(aminomethyl)-5-methyl-1-(2-methylpyrazol-3-yl)hexan-3-ol?
4-(aminomethyl)-5-methyl-1-(2-methylpyrazol-3-yl)hexan-3-ol has a molecular weight of 225.34 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-methyl-1-(2-methylpyrazol-3-yl)hexan-3-ol is sourced from PubChem (CID 107443168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).