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

C13H23N3O — CID 106506639

IUPAC2-(aminomethyl)-2-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-ol
SMILESCCc1cc(CC(CN)(CO)C2CC2)n(C)n1
InChIInChI=1S/C13H23N3O/c1-3-11-6-12(16(2)15-11)7-13(8-14,9-17)10-4-5-10/h6,10,17H,3-5,7-9,14H2,1-2H3
InChIKeyOQNRGNPDWCUCCA-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.87
Rot. Bonds6

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

2-(aminomethyl)-2-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-ol (PubChem CID 106506639) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(aminomethyl)-2-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-ol
PubChem CID106506639
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-(aminomethyl)-2-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-ol
SMILESCCc1cc(CC(CN)(CO)C2CC2)n(C)n1
InChIInChI=1S/C13H23N3O/c1-3-11-6-12(16(2)15-11)7-13(8-14,9-17)10-4-5-10/h6,10,17H,3-5,7-9,14H2,1-2H3
InChIKeyOQNRGNPDWCUCCA-UHFFFAOYSA-N
XLogP0.87
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol
CID 106506636
2-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)-2-methyl-N-propylpropan-1-amine
CID 83159330
[2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine
CID 81009696
2-(aminomethyl)-3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-cyclopropylpropan-1-ol
CID 106506603
[4-ethyl-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexyl]methanamine
CID 81012010
2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol
CID 106506893
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol
CID 79445313
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-(trifluoromethyl)piperidine
CID 106779970
2-(aminomethyl)-2-cyclopropyl-3-(3-methylphenyl)propan-1-ol
CID 106506492
(5-ethyl-1-methylpyrazol-3-yl)methanol
CID 23005581
1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116604110
(3R)-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-amine
CID 115301883

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-ol (CID 106506639) is 2-(aminomethyl)-2-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-ol is CCc1cc(CC(CN)(CO)C2CC2)n(C)n1.
What is the InChIKey of 2-(aminomethyl)-2-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-ol?
The InChIKey is OQNRGNPDWCUCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-11-6-12(16(2)15-11)7-13(8-14,9-17)10-4-5-10/h6,10,17H,3-5,7-9,14H2,1-2H3.
What are the key properties of 2-(aminomethyl)-2-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-ol?
2-(aminomethyl)-2-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-ol has a molecular weight of 237.35 g/mol, XLogP of 0.87, 6 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-(3-ethyl-1-methylpyrazol-5-yl)propan-1-ol is sourced from PubChem (CID 106506639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).