trans-(1R,3S)-N-(1H-indazol-3-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

C17H21N3O — CID 97185080

IUPACtrans-(1R,3S)-N-(1H-indazol-3-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=C[C@H]1[C@@H](C(=O)Nc2n[nH]c3ccccc23)C1(C)C
InChIInChI=1S/C17H21N3O/c1-10(2)9-12-14(17(12,3)4)16(21)18-15-11-7-5-6-8-13(11)19-20-15/h5-9,12,14H,1-4H3,(H2,18,19,20,21)/t12-,14-/m0/s1
InChIKeyADYCBWQYAUTSLL-JSGCOSHPSA-N
MW283.37 g/mol
LogP3.74
Rot. Bonds3

About trans-(1R,3S)-N-(1H-indazol-3-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

trans-(1R,3S)-N-(1H-indazol-3-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (PubChem CID 97185080) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is trans-(1R,3S)-N-(1H-indazol-3-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,3S)-N-(1H-indazol-3-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
PubChem CID97185080
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Nametrans-(1R,3S)-N-(1H-indazol-3-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=C[C@H]1[C@@H](C(=O)Nc2n[nH]c3ccccc23)C1(C)C
InChIInChI=1S/C17H21N3O/c1-10(2)9-12-14(17(12,3)4)16(21)18-15-11-7-5-6-8-13(11)19-20-15/h5-9,12,14H,1-4H3,(H2,18,19,20,21)/t12-,14-/m0/s1
InChIKeyADYCBWQYAUTSLL-JSGCOSHPSA-N
XLogP3.74
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,3S)-N-(1H-indazol-3-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,3S)-N-(1H-indazol-3-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (CID 97185080) is trans-(1R,3S)-N-(1H-indazol-3-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,3S)-N-(1H-indazol-3-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,3S)-N-(1H-indazol-3-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is CC(C)=C[C@H]1[C@@H](C(=O)Nc2n[nH]c3ccccc23)C1(C)C.
What is the InChIKey of trans-(1R,3S)-N-(1H-indazol-3-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The InChIKey is ADYCBWQYAUTSLL-JSGCOSHPSA-N. The full InChI is InChI=1S/C17H21N3O/c1-10(2)9-12-14(17(12,3)4)16(21)18-15-11-7-5-6-8-13(11)19-20-15/h5-9,12,14H,1-4H3,(H2,18,19,20,21)/t12-,14-/m0/s1.
What are the key properties of trans-(1R,3S)-N-(1H-indazol-3-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
trans-(1R,3S)-N-(1H-indazol-3-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide has a molecular weight of 283.37 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3S)-N-(1H-indazol-3-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 97185080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).