N-(3-fluorophenyl)-3-[methyl-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]propanamide

C18H23FN4O — CID 97238870

IUPACN-(3-fluorophenyl)-3-[methyl-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]propanamide
SMILESCN(CCC(=O)Nc1cccc(F)c1)[C@@H]1CCCc2c1cnn2C
InChIInChI=1S/C18H23FN4O/c1-22(16-7-4-8-17-15(16)12-20-23(17)2)10-9-18(24)21-14-6-3-5-13(19)11-14/h3,5-6,11-12,16H,4,7-10H2,1-2H3,(H,21,24)/t16-/m1/s1
InChIKeyQRUAEJIJZNADSQ-MRXNPFEDSA-N
MW330.41 g/mol
LogP2.90
Rot. Bonds5

About N-(3-fluorophenyl)-3-[methyl-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]propanamide

N-(3-fluorophenyl)-3-[methyl-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]propanamide (PubChem CID 97238870) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-[methyl-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]propanamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-[methyl-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]propanamide
PubChem CID97238870
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC NameN-(3-fluorophenyl)-3-[methyl-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]propanamide
SMILESCN(CCC(=O)Nc1cccc(F)c1)[C@@H]1CCCc2c1cnn2C
InChIInChI=1S/C18H23FN4O/c1-22(16-7-4-8-17-15(16)12-20-23(17)2)10-9-18(24)21-14-6-3-5-13(19)11-14/h3,5-6,11-12,16H,4,7-10H2,1-2H3,(H,21,24)/t16-/m1/s1
InChIKeyQRUAEJIJZNADSQ-MRXNPFEDSA-N
XLogP2.90
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-phenylpropanamide
CID 46683151
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methyl 2-[[3-(3-fluoroanilino)-3-oxopropyl]-propan-2-ylamino]acetate
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3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(3-fluorophenyl)propanamide
CID 113138423
3-[bis[[(2R)-oxolan-2-yl]methyl]amino]-N-(3-fluorophenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-[methyl-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]propanamide?
The IUPAC name of N-(3-fluorophenyl)-3-[methyl-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]propanamide (CID 97238870) is N-(3-fluorophenyl)-3-[methyl-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]propanamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-[methyl-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]propanamide?
The canonical SMILES for N-(3-fluorophenyl)-3-[methyl-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]propanamide is CN(CCC(=O)Nc1cccc(F)c1)[C@@H]1CCCc2c1cnn2C.
What is the InChIKey of N-(3-fluorophenyl)-3-[methyl-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]propanamide?
The InChIKey is QRUAEJIJZNADSQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-22(16-7-4-8-17-15(16)12-20-23(17)2)10-9-18(24)21-14-6-3-5-13(19)11-14/h3,5-6,11-12,16H,4,7-10H2,1-2H3,(H,21,24)/t16-/m1/s1.
What are the key properties of N-(3-fluorophenyl)-3-[methyl-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]propanamide?
N-(3-fluorophenyl)-3-[methyl-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]propanamide has a molecular weight of 330.41 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-[methyl-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]propanamide is sourced from PubChem (CID 97238870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).