N-cyclohexyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C19H31N3O — CID 25161458

IUPACN-cyclohexyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCCC(C)(C)C1CCc2[nH]nc(C(=O)NC3CCCCC3)c2C1
InChIInChI=1S/C19H31N3O/c1-4-19(2,3)13-10-11-16-15(12-13)17(22-21-16)18(23)20-14-8-6-5-7-9-14/h13-14H,4-12H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyCYCPGAHVQLXFHC-UHFFFAOYSA-N
MW317.48 g/mol
LogP4.01
Rot. Bonds4

About N-cyclohexyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-cyclohexyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 25161458) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is N-cyclohexyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID25161458
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC NameN-cyclohexyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCCC(C)(C)C1CCc2[nH]nc(C(=O)NC3CCCCC3)c2C1
InChIInChI=1S/C19H31N3O/c1-4-19(2,3)13-10-11-16-15(12-13)17(22-21-16)18(23)20-14-8-6-5-7-9-14/h13-14H,4-12H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyCYCPGAHVQLXFHC-UHFFFAOYSA-N
XLogP4.01
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 25161458) is N-cyclohexyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is CCC(C)(C)C1CCc2[nH]nc(C(=O)NC3CCCCC3)c2C1.
What is the InChIKey of N-cyclohexyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is CYCPGAHVQLXFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-4-19(2,3)13-10-11-16-15(12-13)17(22-21-16)18(23)20-14-8-6-5-7-9-14/h13-14H,4-12H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-cyclohexyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-cyclohexyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 317.48 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 25161458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).