4-(5-fluoro-3-methylindazol-1-yl)-N-(4-methylcyclohexyl)butanamide

C19H26FN3O — CID 122176626

IUPAC4-(5-fluoro-3-methylindazol-1-yl)-N-(4-methylcyclohexyl)butanamide
SMILESCc1nn(CCCC(=O)NC2CCC(C)CC2)c2ccc(F)cc12
InChIInChI=1S/C19H26FN3O/c1-13-5-8-16(9-6-13)21-19(24)4-3-11-23-18-10-7-15(20)12-17(18)14(2)22-23/h7,10,12-13,16H,3-6,8-9,11H2,1-2H3,(H,21,24)
InChIKeyJCEXWBCQKMJRSQ-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.96
Rot. Bonds5

About 4-(5-fluoro-3-methylindazol-1-yl)-N-(4-methylcyclohexyl)butanamide

4-(5-fluoro-3-methylindazol-1-yl)-N-(4-methylcyclohexyl)butanamide (PubChem CID 122176626) has the molecular formula C19H26FN3O and a molecular weight of 331.44 g/mol. Its IUPAC name is 4-(5-fluoro-3-methylindazol-1-yl)-N-(4-methylcyclohexyl)butanamide.

Molecular Properties

Compound Name4-(5-fluoro-3-methylindazol-1-yl)-N-(4-methylcyclohexyl)butanamide
PubChem CID122176626
Molecular FormulaC19H26FN3O
Molecular Weight331.44 g/mol
Exact Mass331.21
IUPAC Name4-(5-fluoro-3-methylindazol-1-yl)-N-(4-methylcyclohexyl)butanamide
SMILESCc1nn(CCCC(=O)NC2CCC(C)CC2)c2ccc(F)cc12
InChIInChI=1S/C19H26FN3O/c1-13-5-8-16(9-6-13)21-19(24)4-3-11-23-18-10-7-15(20)12-17(18)14(2)22-23/h7,10,12-13,16H,3-6,8-9,11H2,1-2H3,(H,21,24)
InChIKeyJCEXWBCQKMJRSQ-UHFFFAOYSA-N
XLogP3.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-((1S)-1-(Aminocarbonyl)-2-methylpropyl)-1-((4-fluorophenyl)methyl)-1H-indazole-3-carboxamide
CID 58124325
Adb-butinaca
CID 155907792
5F-Cumyl-PINACA
CID 86274158
AB-Chminaca
CID 44206133
Amb-fubinaca
CID 119026173
AB-Pinaca
CID 71301472
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide
CID 86567422
5-Fluoro-AB-pinaca, (A+-)-
CID 102144602
Adb-fubinaca
CID 58124399
App-butinaca
CID 154735174
N-(1-Amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide
CID 86280478
Adb-chminaca
CID 68894304

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-3-methylindazol-1-yl)-N-(4-methylcyclohexyl)butanamide?
The IUPAC name of 4-(5-fluoro-3-methylindazol-1-yl)-N-(4-methylcyclohexyl)butanamide (CID 122176626) is 4-(5-fluoro-3-methylindazol-1-yl)-N-(4-methylcyclohexyl)butanamide.
What is the SMILES notation for 4-(5-fluoro-3-methylindazol-1-yl)-N-(4-methylcyclohexyl)butanamide?
The canonical SMILES for 4-(5-fluoro-3-methylindazol-1-yl)-N-(4-methylcyclohexyl)butanamide is Cc1nn(CCCC(=O)NC2CCC(C)CC2)c2ccc(F)cc12.
What is the InChIKey of 4-(5-fluoro-3-methylindazol-1-yl)-N-(4-methylcyclohexyl)butanamide?
The InChIKey is JCEXWBCQKMJRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O/c1-13-5-8-16(9-6-13)21-19(24)4-3-11-23-18-10-7-15(20)12-17(18)14(2)22-23/h7,10,12-13,16H,3-6,8-9,11H2,1-2H3,(H,21,24).
What are the key properties of 4-(5-fluoro-3-methylindazol-1-yl)-N-(4-methylcyclohexyl)butanamide?
4-(5-fluoro-3-methylindazol-1-yl)-N-(4-methylcyclohexyl)butanamide has a molecular weight of 331.44 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-3-methylindazol-1-yl)-N-(4-methylcyclohexyl)butanamide is sourced from PubChem (CID 122176626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).