trans-(1S,2S)-N-(1H-indazol-7-yl)-2-methylcyclopropane-1-carboxamide

C12H13N3O — CID 34148096

IUPACtrans-(1S,2S)-N-(1H-indazol-7-yl)-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@@H]1C(=O)Nc1cccc2cn[nH]c12
InChIInChI=1S/C12H13N3O/c1-7-5-9(7)12(16)14-10-4-2-3-8-6-13-15-11(8)10/h2-4,6-7,9H,5H2,1H3,(H,13,15)(H,14,16)/t7-,9-/m0/s1
InChIKeySBJOFOGALWNRTD-CBAPKCEASA-N
MW215.26 g/mol
LogP2.16
Rot. Bonds2

About trans-(1S,2S)-N-(1H-indazol-7-yl)-2-methylcyclopropane-1-carboxamide

trans-(1S,2S)-N-(1H-indazol-7-yl)-2-methylcyclopropane-1-carboxamide (PubChem CID 34148096) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is trans-(1S,2S)-N-(1H-indazol-7-yl)-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-(1H-indazol-7-yl)-2-methylcyclopropane-1-carboxamide
PubChem CID34148096
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Nametrans-(1S,2S)-N-(1H-indazol-7-yl)-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@@H]1C(=O)Nc1cccc2cn[nH]c12
InChIInChI=1S/C12H13N3O/c1-7-5-9(7)12(16)14-10-4-2-3-8-6-13-15-11(8)10/h2-4,6-7,9H,5H2,1H3,(H,13,15)(H,14,16)/t7-,9-/m0/s1
InChIKeySBJOFOGALWNRTD-CBAPKCEASA-N
XLogP2.16
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-indazol-7-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 54868364
N-(1H-indazol-7-yl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46430877
cis-(1R,2S)-N-[3-(1H-indazol-7-ylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 38015559
trans-(1R,2R)-N-[3-(1H-indazol-7-ylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 38015553
2-(1H-indazol-7-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978246
cis-(1S,2R)-N-(1H-indazol-7-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 95979860
(3R,4S)-N-(1H-indazol-7-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120921147
N-(1H-indazol-7-yl)-5-oxopyrrolidine-3-carboxamide
CID 78982095
(2R)-N-(1H-indazol-7-yl)pyrrolidine-2-carboxamide
CID 113263883
N-(1H-indazol-7-yl)-2-methylpropanamide
CID 31817153
N-(1H-indazol-7-yl)-2-(methylamino)benzamide
CID 61376523
N-(1H-indazol-7-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891325

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-(1H-indazol-7-yl)-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-(1H-indazol-7-yl)-2-methylcyclopropane-1-carboxamide (CID 34148096) is trans-(1S,2S)-N-(1H-indazol-7-yl)-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-(1H-indazol-7-yl)-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-(1H-indazol-7-yl)-2-methylcyclopropane-1-carboxamide is C[C@H]1C[C@@H]1C(=O)Nc1cccc2cn[nH]c12.
What is the InChIKey of trans-(1S,2S)-N-(1H-indazol-7-yl)-2-methylcyclopropane-1-carboxamide?
The InChIKey is SBJOFOGALWNRTD-CBAPKCEASA-N. The full InChI is InChI=1S/C12H13N3O/c1-7-5-9(7)12(16)14-10-4-2-3-8-6-13-15-11(8)10/h2-4,6-7,9H,5H2,1H3,(H,13,15)(H,14,16)/t7-,9-/m0/s1.
What are the key properties of trans-(1S,2S)-N-(1H-indazol-7-yl)-2-methylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-(1H-indazol-7-yl)-2-methylcyclopropane-1-carboxamide has a molecular weight of 215.26 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-(1H-indazol-7-yl)-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 34148096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).