(3-aminoindazol-1-yl)-[(1R,2R)-2-phenylcyclopropyl]methanone

C17H15N3O — CID 124847660

IUPAC(3-aminoindazol-1-yl)-[(1R,2R)-2-phenylcyclopropyl]methanone
SMILESNc1nn(C(=O)[C@@H]2C[C@H]2c2ccccc2)c2ccccc12
InChIInChI=1S/C17H15N3O/c18-16-12-8-4-5-9-15(12)20(19-16)17(21)14-10-13(14)11-6-2-1-3-7-11/h1-9,13-14H,10H2,(H2,18,19)/t13-,14+/m0/s1
InChIKeyLGVOLYKDNGKQIJ-UONOGXRCSA-N
MW277.33 g/mol
LogP3.06
Rot. Bonds2

About (3-aminoindazol-1-yl)-[(1R,2R)-2-phenylcyclopropyl]methanone

(3-aminoindazol-1-yl)-[(1R,2R)-2-phenylcyclopropyl]methanone (PubChem CID 124847660) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is (3-aminoindazol-1-yl)-[(1R,2R)-2-phenylcyclopropyl]methanone.

Molecular Properties

Compound Name(3-aminoindazol-1-yl)-[(1R,2R)-2-phenylcyclopropyl]methanone
PubChem CID124847660
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name(3-aminoindazol-1-yl)-[(1R,2R)-2-phenylcyclopropyl]methanone
SMILESNc1nn(C(=O)[C@@H]2C[C@H]2c2ccccc2)c2ccccc12
InChIInChI=1S/C17H15N3O/c18-16-12-8-4-5-9-15(12)20(19-16)17(21)14-10-13(14)11-6-2-1-3-7-11/h1-9,13-14H,10H2,(H2,18,19)/t13-,14+/m0/s1
InChIKeyLGVOLYKDNGKQIJ-UONOGXRCSA-N
XLogP3.06
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminoindazol-1-yl)-(4-methylpiperidin-1-yl)methanone
CID 11529001
(3-aminoindazol-1-yl)-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone
CID 94770946
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
(4S)-4-(3-aminoindazole-1-carbonyl)-1-cyclopentylpyrrolidin-2-one
CID 94770944
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
[(1S,2S)-2-phenylcyclopropyl]-piperazin-1-ylmethanone
CID 51893718
(1-methylpyrazol-3-yl)-(2-phenylcyclopropyl)methanone
CID 116517051
2-methyl-2-phenyl-1-(2-phenylcyclopropyl)propan-1-one
CID 116517019
(3-hydroxypiperidin-1-yl)-(2-phenylcyclopropyl)methanone
CID 78971302
[2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 81482768
[(3R)-3-aminopiperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 102978507
3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one
CID 101132286

Frequently Asked Questions

What is the IUPAC name of (3-aminoindazol-1-yl)-[(1R,2R)-2-phenylcyclopropyl]methanone?
The IUPAC name of (3-aminoindazol-1-yl)-[(1R,2R)-2-phenylcyclopropyl]methanone (CID 124847660) is (3-aminoindazol-1-yl)-[(1R,2R)-2-phenylcyclopropyl]methanone.
What is the SMILES notation for (3-aminoindazol-1-yl)-[(1R,2R)-2-phenylcyclopropyl]methanone?
The canonical SMILES for (3-aminoindazol-1-yl)-[(1R,2R)-2-phenylcyclopropyl]methanone is Nc1nn(C(=O)[C@@H]2C[C@H]2c2ccccc2)c2ccccc12.
What is the InChIKey of (3-aminoindazol-1-yl)-[(1R,2R)-2-phenylcyclopropyl]methanone?
The InChIKey is LGVOLYKDNGKQIJ-UONOGXRCSA-N. The full InChI is InChI=1S/C17H15N3O/c18-16-12-8-4-5-9-15(12)20(19-16)17(21)14-10-13(14)11-6-2-1-3-7-11/h1-9,13-14H,10H2,(H2,18,19)/t13-,14+/m0/s1.
What are the key properties of (3-aminoindazol-1-yl)-[(1R,2R)-2-phenylcyclopropyl]methanone?
(3-aminoindazol-1-yl)-[(1R,2R)-2-phenylcyclopropyl]methanone has a molecular weight of 277.33 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminoindazol-1-yl)-[(1R,2R)-2-phenylcyclopropyl]methanone is sourced from PubChem (CID 124847660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).