(4-amino-5,5-dimethyl-6,7-dihydro-1H-indazol-4-yl)methanol

C10H17N3O — CID 112715411

IUPAC(4-amino-5,5-dimethyl-6,7-dihydro-1H-indazol-4-yl)methanol
SMILESCC1(C)CCc2[nH]ncc2C1(N)CO
InChIInChI=1S/C10H17N3O/c1-9(2)4-3-8-7(5-12-13-8)10(9,11)6-14/h5,14H,3-4,6,11H2,1-2H3,(H,12,13)
InChIKeyLKNCKRYZFQSGMV-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.53
Rot. Bonds1

About (4-amino-5,5-dimethyl-6,7-dihydro-1H-indazol-4-yl)methanol

(4-amino-5,5-dimethyl-6,7-dihydro-1H-indazol-4-yl)methanol (PubChem CID 112715411) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is (4-amino-5,5-dimethyl-6,7-dihydro-1H-indazol-4-yl)methanol.

Molecular Properties

Compound Name(4-amino-5,5-dimethyl-6,7-dihydro-1H-indazol-4-yl)methanol
PubChem CID112715411
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name(4-amino-5,5-dimethyl-6,7-dihydro-1H-indazol-4-yl)methanol
SMILESCC1(C)CCc2[nH]ncc2C1(N)CO
InChIInChI=1S/C10H17N3O/c1-9(2)4-3-8-7(5-12-13-8)10(9,11)6-14/h5,14H,3-4,6,11H2,1-2H3,(H,12,13)
InChIKeyLKNCKRYZFQSGMV-UHFFFAOYSA-N
XLogP0.53
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanol
CID 155978058
4,5,6,7-tetrahydro-1H-indazol-5-ylmethanol
CID 55253391
((3aS,4R,5S,7aS)-5-((5R,6S)-6-(hydroxymethyl)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-5-yl)-7a-methyl-1-methyleneoctahydro-1H-inden-4-yl)methanol
CID 81689822
[(5S,6S)-5-[(3aS,4R,5S,7aS)-4-(hydroxymethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanol
CID 117603761
6,6-Dimethyl-1,4,5,7-tetrahydroindazol-5-ol
CID 117935304
[5-[4-(hydroxymethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanol
CID 123502951
[(5S,6S)-5-[(1aS,3aS,6aR)-6b-(hydroxymethyl)-3a-methyl-4-methylidene-1,2,3,5,6,6a-hexahydrocyclopropa[e]inden-1a-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanol
CID 138613229
[(5R,6S)-5-[(4R,5S)-4-(aminomethyl)-1,1-dimethyl-2,3,4,5,6,7-hexahydroinden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanol
CID 139561563
[(5S,6S)-5-[(3aS,4S,5S,7aS)-4-(aminomethyl)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanol
CID 139561823
[(5R,6S)-5-[(3aS,4R,5S,7aS)-4-[(dimethylamino)methyl]-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanol
CID 139561860
[(5S,6S)-5-[(1S,3aS,4S,5S,7aR)-4-(aminomethyl)-1-ethyl-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanol
CID 139561968
[5-[(1S,3aS,4S,5S,7aR)-4-(aminomethyl)-1-ethyl-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanol
CID 139561969

Frequently Asked Questions

What is the IUPAC name of (4-amino-5,5-dimethyl-6,7-dihydro-1H-indazol-4-yl)methanol?
The IUPAC name of (4-amino-5,5-dimethyl-6,7-dihydro-1H-indazol-4-yl)methanol (CID 112715411) is (4-amino-5,5-dimethyl-6,7-dihydro-1H-indazol-4-yl)methanol.
What is the SMILES notation for (4-amino-5,5-dimethyl-6,7-dihydro-1H-indazol-4-yl)methanol?
The canonical SMILES for (4-amino-5,5-dimethyl-6,7-dihydro-1H-indazol-4-yl)methanol is CC1(C)CCc2[nH]ncc2C1(N)CO.
What is the InChIKey of (4-amino-5,5-dimethyl-6,7-dihydro-1H-indazol-4-yl)methanol?
The InChIKey is LKNCKRYZFQSGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-9(2)4-3-8-7(5-12-13-8)10(9,11)6-14/h5,14H,3-4,6,11H2,1-2H3,(H,12,13).
What are the key properties of (4-amino-5,5-dimethyl-6,7-dihydro-1H-indazol-4-yl)methanol?
(4-amino-5,5-dimethyl-6,7-dihydro-1H-indazol-4-yl)methanol has a molecular weight of 195.27 g/mol, XLogP of 0.53, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5,5-dimethyl-6,7-dihydro-1H-indazol-4-yl)methanol is sourced from PubChem (CID 112715411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).