1-(cyclopropylmethyl)-N-(2-phenylpropan-2-yl)indazole-3-carboxamide

C21H23N3O — CID 167312295

IUPAC1-(cyclopropylmethyl)-N-(2-phenylpropan-2-yl)indazole-3-carboxamide
SMILESCC(C)(NC(=O)c1nn(CC2CC2)c2ccccc12)c1ccccc1
InChIInChI=1S/C21H23N3O/c1-21(2,16-8-4-3-5-9-16)22-20(25)19-17-10-6-7-11-18(17)24(23-19)14-15-12-13-15/h3-11,15H,12-14H2,1-2H3,(H,22,25)
InChIKeyVFEIPIBYVWCLRB-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.11
Rot. Bonds5

About 1-(cyclopropylmethyl)-N-(2-phenylpropan-2-yl)indazole-3-carboxamide

1-(cyclopropylmethyl)-N-(2-phenylpropan-2-yl)indazole-3-carboxamide (PubChem CID 167312295) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-(2-phenylpropan-2-yl)indazole-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-(2-phenylpropan-2-yl)indazole-3-carboxamide
PubChem CID167312295
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name1-(cyclopropylmethyl)-N-(2-phenylpropan-2-yl)indazole-3-carboxamide
SMILESCC(C)(NC(=O)c1nn(CC2CC2)c2ccccc12)c1ccccc1
InChIInChI=1S/C21H23N3O/c1-21(2,16-8-4-3-5-9-16)22-20(25)19-17-10-6-7-11-18(17)24(23-19)14-15-12-13-15/h3-11,15H,12-14H2,1-2H3,(H,22,25)
InChIKeyVFEIPIBYVWCLRB-UHFFFAOYSA-N
XLogP4.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-(2-phenylpropan-2-yl)indazole-3-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-N-(2-phenylpropan-2-yl)indazole-3-carboxamide (CID 167312295) is 1-(cyclopropylmethyl)-N-(2-phenylpropan-2-yl)indazole-3-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-(2-phenylpropan-2-yl)indazole-3-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-N-(2-phenylpropan-2-yl)indazole-3-carboxamide is CC(C)(NC(=O)c1nn(CC2CC2)c2ccccc12)c1ccccc1.
What is the InChIKey of 1-(cyclopropylmethyl)-N-(2-phenylpropan-2-yl)indazole-3-carboxamide?
The InChIKey is VFEIPIBYVWCLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-21(2,16-8-4-3-5-9-16)22-20(25)19-17-10-6-7-11-18(17)24(23-19)14-15-12-13-15/h3-11,15H,12-14H2,1-2H3,(H,22,25).
What are the key properties of 1-(cyclopropylmethyl)-N-(2-phenylpropan-2-yl)indazole-3-carboxamide?
1-(cyclopropylmethyl)-N-(2-phenylpropan-2-yl)indazole-3-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-(2-phenylpropan-2-yl)indazole-3-carboxamide is sourced from PubChem (CID 167312295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).