4-(aminomethyl)-1-methyl-5,6-dihydrocyclopenta[d]pyrazol-4-ol

C8H13N3O — CID 83905569

IUPAC4-(aminomethyl)-1-methyl-5,6-dihydrocyclopenta[d]pyrazol-4-ol
SMILESCn1ncc2c1CCC2(O)CN
InChIInChI=1S/C8H13N3O/c1-11-7-2-3-8(12,5-9)6(7)4-10-11/h4,12H,2-3,5,9H2,1H3
InChIKeyHPEFNNOYFCKPEI-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.49
Rot. Bonds1

About 4-(aminomethyl)-1-methyl-5,6-dihydrocyclopenta[d]pyrazol-4-ol

4-(aminomethyl)-1-methyl-5,6-dihydrocyclopenta[d]pyrazol-4-ol (PubChem CID 83905569) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-(aminomethyl)-1-methyl-5,6-dihydrocyclopenta[d]pyrazol-4-ol.

Molecular Properties

Compound Name4-(aminomethyl)-1-methyl-5,6-dihydrocyclopenta[d]pyrazol-4-ol
PubChem CID83905569
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name4-(aminomethyl)-1-methyl-5,6-dihydrocyclopenta[d]pyrazol-4-ol
SMILESCn1ncc2c1CCC2(O)CN
InChIInChI=1S/C8H13N3O/c1-11-7-2-3-8(12,5-9)6(7)4-10-11/h4,12H,2-3,5,9H2,1H3
InChIKeyHPEFNNOYFCKPEI-UHFFFAOYSA-N
XLogP-0.49
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Alumanyl-5-fluoro-4-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-ol
CID 164087205
1-Methyl-1,4,5,6-tetrahydrocyclopenta[C]pyrazol-4-OL
CID 162341864
4-Amino-2-(1,3-dimethylpyrazol-4-yl)butan-2-ol
CID 82407070
4-Amino-2-(1,5-dimethylpyrazol-4-yl)butan-2-ol
CID 82407071
3-(aminomethyl)-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol
CID 83863533
4-(aminomethyl)-5,6-dihydro-1H-cyclopenta[d]pyrazol-4-ol
CID 83905084
4-(aminomethyl)-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazol-4-ol
CID 83905564
4-(Aminomethyl)-2-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-ol
CID 83905568
4-(2-aminoethyl)-5,6-dihydro-1H-cyclopenta[d]pyrazol-4-ol
CID 83905570
4-(Aminomethyl)-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazol-4-ol
CID 83906520
4-(Aminomethyl)-2,3-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-4-ol
CID 83906521
4-(2-Aminoethyl)-2-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-ol
CID 83906526

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-methyl-5,6-dihydrocyclopenta[d]pyrazol-4-ol?
The IUPAC name of 4-(aminomethyl)-1-methyl-5,6-dihydrocyclopenta[d]pyrazol-4-ol (CID 83905569) is 4-(aminomethyl)-1-methyl-5,6-dihydrocyclopenta[d]pyrazol-4-ol.
What is the SMILES notation for 4-(aminomethyl)-1-methyl-5,6-dihydrocyclopenta[d]pyrazol-4-ol?
The canonical SMILES for 4-(aminomethyl)-1-methyl-5,6-dihydrocyclopenta[d]pyrazol-4-ol is Cn1ncc2c1CCC2(O)CN.
What is the InChIKey of 4-(aminomethyl)-1-methyl-5,6-dihydrocyclopenta[d]pyrazol-4-ol?
The InChIKey is HPEFNNOYFCKPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-11-7-2-3-8(12,5-9)6(7)4-10-11/h4,12H,2-3,5,9H2,1H3.
What are the key properties of 4-(aminomethyl)-1-methyl-5,6-dihydrocyclopenta[d]pyrazol-4-ol?
4-(aminomethyl)-1-methyl-5,6-dihydrocyclopenta[d]pyrazol-4-ol has a molecular weight of 167.21 g/mol, XLogP of -0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-methyl-5,6-dihydrocyclopenta[d]pyrazol-4-ol is sourced from PubChem (CID 83905569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).