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

C16H27N3O — CID 25161475

IUPAC5-(2-methylbutan-2-yl)-N-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCCC(C)(C)C1CCc2[nH]nc(C(=O)NC(C)C)c2C1
InChIInChI=1S/C16H27N3O/c1-6-16(4,5)11-7-8-13-12(9-11)14(19-18-13)15(20)17-10(2)3/h10-11H,6-9H2,1-5H3,(H,17,20)(H,18,19)
InChIKeyNMCJZRPYCBLZGP-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.09
Rot. Bonds4

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

5-(2-methylbutan-2-yl)-N-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 25161475) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 5-(2-methylbutan-2-yl)-N-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-methylbutan-2-yl)-N-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID25161475
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name5-(2-methylbutan-2-yl)-N-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCCC(C)(C)C1CCc2[nH]nc(C(=O)NC(C)C)c2C1
InChIInChI=1S/C16H27N3O/c1-6-16(4,5)11-7-8-13-12(9-11)14(19-18-13)15(20)17-10(2)3/h10-11H,6-9H2,1-5H3,(H,17,20)(H,18,19)
InChIKeyNMCJZRPYCBLZGP-UHFFFAOYSA-N
XLogP3.09
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylbutan-2-yl)-N-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of 5-(2-methylbutan-2-yl)-N-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 25161475) is 5-(2-methylbutan-2-yl)-N-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(2-methylbutan-2-yl)-N-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(2-methylbutan-2-yl)-N-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is CCC(C)(C)C1CCc2[nH]nc(C(=O)NC(C)C)c2C1.
What is the InChIKey of 5-(2-methylbutan-2-yl)-N-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is NMCJZRPYCBLZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-6-16(4,5)11-7-8-13-12(9-11)14(19-18-13)15(20)17-10(2)3/h10-11H,6-9H2,1-5H3,(H,17,20)(H,18,19).
What are the key properties of 5-(2-methylbutan-2-yl)-N-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
5-(2-methylbutan-2-yl)-N-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylbutan-2-yl)-N-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 25161475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).