4-(aminomethyl)-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazol-4-ol

C9H15N3O — CID 83906520

IUPAC4-(aminomethyl)-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazol-4-ol
SMILESCc1nn(C)c2c1C(O)(CN)CC2
InChIInChI=1S/C9H15N3O/c1-6-8-7(12(2)11-6)3-4-9(8,13)5-10/h13H,3-5,10H2,1-2H3
InChIKeyFLVVSVOOUMIVRZ-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.18
Rot. Bonds1

About 4-(aminomethyl)-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazol-4-ol

4-(aminomethyl)-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazol-4-ol (PubChem CID 83906520) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-(aminomethyl)-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazol-4-ol.

Molecular Properties

Compound Name4-(aminomethyl)-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazol-4-ol
PubChem CID83906520
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-(aminomethyl)-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazol-4-ol
SMILESCc1nn(C)c2c1C(O)(CN)CC2
InChIInChI=1S/C9H15N3O/c1-6-8-7(12(2)11-6)3-4-9(8,13)5-10/h13H,3-5,10H2,1-2H3
InChIKeyFLVVSVOOUMIVRZ-UHFFFAOYSA-N
XLogP-0.18
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.18
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)-5,5-difluoro-3-methyl-1-propyl-4,6-dihydrocyclopenta[d]pyrazol-4-ol
CID 169840014
(4S,5R)-1-butyl-5-fluoro-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol
CID 169840016
(4S,5S)-1-butyl-5-fluoro-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol
CID 169840018
(4S,6R)-1-butyl-5,5,6-trifluoro-3-(trifluoromethyl)-4,6-dihydrocyclopenta[d]pyrazol-4-ol
CID 169840050
(4S,6S)-1-butyl-5,5,6-trifluoro-3-(trifluoromethyl)-4,6-dihydrocyclopenta[d]pyrazol-4-ol
CID 169840051
(4S,5S,6S)-1-butyl-5,6-difluoro-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-ol
CID 169840058
(4S,5S,6R)-1-(6,6-difluorooctyl)-5,6-difluoro-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-ol
CID 169841180
(4S,5S,6R)-5,6-difluoro-1-pentyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-ol
CID 169843206

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazol-4-ol?
The IUPAC name of 4-(aminomethyl)-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazol-4-ol (CID 83906520) is 4-(aminomethyl)-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazol-4-ol.
What is the SMILES notation for 4-(aminomethyl)-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazol-4-ol?
The canonical SMILES for 4-(aminomethyl)-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazol-4-ol is Cc1nn(C)c2c1C(O)(CN)CC2.
What is the InChIKey of 4-(aminomethyl)-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazol-4-ol?
The InChIKey is FLVVSVOOUMIVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6-8-7(12(2)11-6)3-4-9(8,13)5-10/h13H,3-5,10H2,1-2H3.
What are the key properties of 4-(aminomethyl)-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazol-4-ol?
4-(aminomethyl)-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazol-4-ol has a molecular weight of 181.24 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazol-4-ol is sourced from PubChem (CID 83906520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).