3-(aminomethyl)-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol

C8H13N3O — CID 83863682

IUPAC3-(aminomethyl)-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol
SMILESCn1nc2c(c1CN)C(O)CC2
InChIInChI=1S/C8H13N3O/c1-11-6(4-9)8-5(10-11)2-3-7(8)12/h7,12H,2-4,9H2,1H3
InChIKeyKQBAFYVKBIIQOJ-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.14
Rot. Bonds1

About 3-(aminomethyl)-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol

3-(aminomethyl)-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol (PubChem CID 83863682) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-(aminomethyl)-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol.

Molecular Properties

Compound Name3-(aminomethyl)-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol
PubChem CID83863682
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3-(aminomethyl)-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol
SMILESCn1nc2c(c1CN)C(O)CC2
InChIInChI=1S/C8H13N3O/c1-11-6(4-9)8-5(10-11)2-3-7(8)12/h7,12H,2-4,9H2,1H3
InChIKeyKQBAFYVKBIIQOJ-UHFFFAOYSA-N
XLogP-0.14
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 ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol
CID 90162237
1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol
CID 90162790
1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol
CID 90167572
2-(difluoromethyl)-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol
CID 146330882
(4S)-1-[(3R)-3-ethoxy-4,4,4-trifluorobutyl]-5,5-difluoro-3-(trifluoromethyl)-4,6-dihydrocyclopenta[c]pyrazol-4-ol
CID 168250422
5,6-difluoro-1-(4,4,4-trifluorobutyl)-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-ol
CID 168250427
5-fluoro-1-(4,4,4-trifluorobutyl)-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol
CID 168250430
1-Cyclobutyl-5,5-difluoro-3-(trifluoromethyl)-4,6-dihydrocyclopenta[c]pyrazol-4-ol;difluoro(methoxy)methane
CID 168250431
(4S)-1-[(1S,3S)-3-(difluoromethoxy)cyclopentyl]-5,5-difluoro-3-(trifluoromethyl)-4,6-dihydrocyclopenta[c]pyrazol-4-ol
CID 168250434
1-(2,2-difluorospiro[3.3]heptan-6-yl)-5-fluoro-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol
CID 168250435
(4S)-1-[(1R,3R)-3-(difluoromethoxy)cyclopentyl]-5,5-difluoro-3-(trifluoromethyl)-4,6-dihydrocyclopenta[c]pyrazol-4-ol
CID 168250438
(4S)-5,5-difluoro-3-(trifluoromethyl)-1-[(2R,4S)-2-(trifluoromethyl)oxan-4-yl]-4,6-dihydrocyclopenta[c]pyrazol-4-ol
CID 168250439

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol?
The IUPAC name of 3-(aminomethyl)-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol (CID 83863682) is 3-(aminomethyl)-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol.
What is the SMILES notation for 3-(aminomethyl)-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol?
The canonical SMILES for 3-(aminomethyl)-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol is Cn1nc2c(c1CN)C(O)CC2.
What is the InChIKey of 3-(aminomethyl)-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol?
The InChIKey is KQBAFYVKBIIQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-11-6(4-9)8-5(10-11)2-3-7(8)12/h7,12H,2-4,9H2,1H3.
What are the key properties of 3-(aminomethyl)-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol?
3-(aminomethyl)-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol has a molecular weight of 167.21 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol is sourced from PubChem (CID 83863682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).