(4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazol-4-yl)methanol

C8H13N3O — CID 83905575

IUPAC(4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazol-4-yl)methanol
SMILESCn1ncc2c1CCC2(N)CO
InChIInChI=1S/C8H13N3O/c1-11-7-2-3-8(9,5-12)6(7)4-10-11/h4,12H,2-3,5,9H2,1H3
InChIKeyBXEWAXJTKFBTPB-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.49
Rot. Bonds1

About (4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazol-4-yl)methanol

(4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazol-4-yl)methanol (PubChem CID 83905575) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is (4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazol-4-yl)methanol.

Molecular Properties

Compound Name(4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazol-4-yl)methanol
PubChem CID83905575
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name(4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazol-4-yl)methanol
SMILESCn1ncc2c1CCC2(N)CO
InChIInChI=1S/C8H13N3O/c1-11-7-2-3-8(9,5-12)6(7)4-10-11/h4,12H,2-3,5,9H2,1H3
InChIKeyBXEWAXJTKFBTPB-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

CID 134855318
CID 134855318
[(4R,6S)-6-(hydroxymethyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanol
CID 134973456
[(4S,6R)-2-ethyl-6-(hydroxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]methanol
CID 12072410
(2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl)methanol
CID 169855374
(1-ethyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-yl)methanol
CID 169855375
[(4S,6R)-1-ethyl-6-(hydroxymethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanol
CID 12072409
[2-[[(1-Methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]cyclopentyl]methanol
CID 65924991
4-Amino-3-(1,5-dimethylpyrazol-4-yl)butan-1-ol
CID 79595681
4-Amino-3-(1,5-dimethylpyrazol-4-yl)-4-methylpentan-1-ol
CID 79595788
4-Amino-3-(1,5-dimethylpyrazol-4-yl)hexan-1-ol
CID 79595901
4-Amino-3-(1,3-dimethylpyrazol-4-yl)-4-methylpentan-1-ol
CID 83094530
(4-amino-5,6-dihydro-1H-cyclopenta[d]pyrazol-4-yl)methanol
CID 83905085

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazol-4-yl)methanol?
The IUPAC name of (4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazol-4-yl)methanol (CID 83905575) is (4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazol-4-yl)methanol.
What is the SMILES notation for (4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazol-4-yl)methanol?
The canonical SMILES for (4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazol-4-yl)methanol is Cn1ncc2c1CCC2(N)CO.
What is the InChIKey of (4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazol-4-yl)methanol?
The InChIKey is BXEWAXJTKFBTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-11-7-2-3-8(9,5-12)6(7)4-10-11/h4,12H,2-3,5,9H2,1H3.
What are the key properties of (4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazol-4-yl)methanol?
(4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazol-4-yl)methanol 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-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazol-4-yl)methanol is sourced from PubChem (CID 83905575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).