2-(aminomethyl)-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-ol

C10H19N3O — CID 106506219

IUPAC2-(aminomethyl)-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-ol
SMILESCn1cc(CCC(C)(CN)CO)cn1
InChIInChI=1S/C10H19N3O/c1-10(7-11,8-14)4-3-9-5-12-13(2)6-9/h5-6,14H,3-4,7-8,11H2,1-2H3
InChIKeyPLCBGMMTSZZXCN-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.31
Rot. Bonds5

About 2-(aminomethyl)-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-ol

2-(aminomethyl)-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-ol (PubChem CID 106506219) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(aminomethyl)-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-ol
PubChem CID106506219
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-(aminomethyl)-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-ol
SMILESCn1cc(CCC(C)(CN)CO)cn1
InChIInChI=1S/C10H19N3O/c1-10(7-11,8-14)4-3-9-5-12-13(2)6-9/h5-6,14H,3-4,7-8,11H2,1-2H3
InChIKeyPLCBGMMTSZZXCN-UHFFFAOYSA-N
XLogP0.31
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014422
1-amino-2-methyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103006669
2-fluoro-2-[2-(1-methylpyrazol-4-yl)ethyl]pentan-1-amine
CID 103023204
2-(1-methylpyrazol-4-yl)ethanol
CID 17028076
2-methyl-5-(1-methylpyrazol-4-yl)pentan-2-ol
CID 164967779
2-fluoro-2-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine
CID 112567841
2-(aminomethyl)-4-(1-methylpyrazol-4-yl)-2-phenylbutanoic acid
CID 106489399
3-(1-methylpyrazol-4-yl)propan-1-amine
CID 47003365
2-(hydroxymethyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]propane-1,3-diol
CID 107852417
2-(2-methylphenyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]propane-1,3-diol
CID 103018844
N-tert-butyl-2,2-dimethyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014439
2-(4-iodophenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 114083180

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-ol (CID 106506219) is 2-(aminomethyl)-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-ol is Cn1cc(CCC(C)(CN)CO)cn1.
What is the InChIKey of 2-(aminomethyl)-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-ol?
The InChIKey is PLCBGMMTSZZXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-10(7-11,8-14)4-3-9-5-12-13(2)6-9/h5-6,14H,3-4,7-8,11H2,1-2H3.
What are the key properties of 2-(aminomethyl)-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-ol?
2-(aminomethyl)-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-ol is sourced from PubChem (CID 106506219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).