(4-amino-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)methanol

C9H15N3O — CID 112714743

IUPAC(4-amino-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)methanol
SMILESCc1[nH]nc2c1C(N)(CO)C(C)C2
InChIInChI=1S/C9H15N3O/c1-5-3-7-8(6(2)11-12-7)9(5,10)4-13/h5,13H,3-4,10H2,1-2H3,(H,11,12)
InChIKeyGKPWEBPHUUCRGC-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.06
Rot. Bonds1

About (4-amino-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)methanol

(4-amino-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)methanol (PubChem CID 112714743) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (4-amino-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)methanol.

Molecular Properties

Compound Name(4-amino-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)methanol
PubChem CID112714743
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(4-amino-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)methanol
SMILESCc1[nH]nc2c1C(N)(CO)C(C)C2
InChIInChI=1S/C9H15N3O/c1-5-3-7-8(6(2)11-12-7)9(5,10)4-13/h5,13H,3-4,10H2,1-2H3,(H,11,12)
InChIKeyGKPWEBPHUUCRGC-UHFFFAOYSA-N
XLogP0.06
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)cyclopentan-1-ol
CID 177823279
(4-fluoro-4-methyl-5,6-dihydro-1H-cyclopenta[c]pyrazol-3-yl)methanol
CID 105434430
3-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}-1,1,1-trifluoropropan-2-ol
CID 165629908
2-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}-2,2-difluoroethan-1-ol
CID 165699655
4,5,6,7-tetrahydro-1H-4,7-methanoindazol-3-ylmethanol
CID 58521562
2-(3-isobutyl-5-methyl-1H-pyrazol-4-yl)ethan-1-ol
CID 89370094
5-(Methoxymethyl)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole
CID 123676414
2-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}ethan-1-ol
CID 83858896
(4-amino-5,6-dihydro-1H-cyclopenta[d]pyrazol-4-yl)methanol
CID 83905085
(4-amino-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)methanol
CID 83905572
(4-amino-3-cyclopropyl-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl)methanol
CID 83907545
(4-amino-3-propan-2-yl-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl)methanol
CID 83907845

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)methanol?
The IUPAC name of (4-amino-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)methanol (CID 112714743) is (4-amino-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)methanol.
What is the SMILES notation for (4-amino-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)methanol?
The canonical SMILES for (4-amino-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)methanol is Cc1[nH]nc2c1C(N)(CO)C(C)C2.
What is the InChIKey of (4-amino-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)methanol?
The InChIKey is GKPWEBPHUUCRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-5-3-7-8(6(2)11-12-7)9(5,10)4-13/h5,13H,3-4,10H2,1-2H3,(H,11,12).
What are the key properties of (4-amino-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)methanol?
(4-amino-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)methanol has a molecular weight of 181.24 g/mol, XLogP of 0.06, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)methanol is sourced from PubChem (CID 112714743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).