2-(aminomethyl)-2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol

C12H21N3O — CID 106506636

IUPAC2-(aminomethyl)-2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol
SMILESCc1cc(CC(CN)(CO)C2CC2)n(C)n1
InChIInChI=1S/C12H21N3O/c1-9-5-11(15(2)14-9)6-12(7-13,8-16)10-3-4-10/h5,10,16H,3-4,6-8,13H2,1-2H3
InChIKeyLQZNRGQEYPQVQB-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.62
Rot. Bonds5

About 2-(aminomethyl)-2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol

2-(aminomethyl)-2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol (PubChem CID 106506636) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(aminomethyl)-2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol
PubChem CID106506636
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-(aminomethyl)-2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol
SMILESCc1cc(CC(CN)(CO)C2CC2)n(C)n1
InChIInChI=1S/C12H21N3O/c1-9-5-11(15(2)14-9)6-12(7-13,8-16)10-3-4-10/h5,10,16H,3-4,6-8,13H2,1-2H3
InChIKeyLQZNRGQEYPQVQB-UHFFFAOYSA-N
XLogP0.62
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-2-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-ol
CID 106506639
2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol
CID 106506893
2-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylbutan-1-ol
CID 66058323
2-(aminomethyl)-3-(2,5-dimethylpyrazol-3-yl)-2-methylpropanoic acid
CID 106487225
2-[(2,5-dimethylpyrazol-3-yl)methyl]-2-propylpropane-1,3-diol
CID 79450371
2-cyclopropyl-2-(2,5-dimethylpyrazol-3-yl)propan-1-amine
CID 83830552
2-(aminomethyl)-2-cyclopropyl-3-(3-methylphenyl)propan-1-ol
CID 106506492
[2-[(2,5-dimethylpyrazol-3-yl)methyl]cyclobutyl]methanamine
CID 81010612
2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine
CID 83159779
2-cyclopentyl-2-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methoxy-3-oxopropanoic acid
CID 103974708
1-[4-(aminomethyl)cyclohexyl]-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 116592412
1-amino-2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-2-ol
CID 64813189

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol (CID 106506636) is 2-(aminomethyl)-2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol is Cc1cc(CC(CN)(CO)C2CC2)n(C)n1.
What is the InChIKey of 2-(aminomethyl)-2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol?
The InChIKey is LQZNRGQEYPQVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9-5-11(15(2)14-9)6-12(7-13,8-16)10-3-4-10/h5,10,16H,3-4,6-8,13H2,1-2H3.
What are the key properties of 2-(aminomethyl)-2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol?
2-(aminomethyl)-2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol is sourced from PubChem (CID 106506636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).