N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C22H31FN4O — CID 55802204

IUPACN-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1
InChIInChI=1S/C22H31FN4O/c1-15-19(16(2)27(4)25-15)11-13-22(28)24-17-10-12-21(20(23)14-17)26(3)18-8-6-5-7-9-18/h10,12,14,18H,5-9,11,13H2,1-4H3,(H,24,28)
InChIKeyNGNQSQVKPXHWTG-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.52
Rot. Bonds6

About N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 55802204) has the molecular formula C22H31FN4O and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID55802204
Molecular FormulaC22H31FN4O
Molecular Weight386.52 g/mol
Exact Mass386.25
IUPAC NameN-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1
InChIInChI=1S/C22H31FN4O/c1-15-19(16(2)27(4)25-15)11-13-22(28)24-17-10-12-21(20(23)14-17)26(3)18-8-6-5-7-9-18/h10,12,14,18H,5-9,11,13H2,1-4H3,(H,24,28)
InChIKeyNGNQSQVKPXHWTG-UHFFFAOYSA-N
XLogP4.52
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanamide
CID 55802198
N-[3-[4-[cyclohexyl(methyl)amino]-3-fluoroanilino]-3-oxopropyl]-2-methylbenzamide
CID 55802521
N-[5-chloro-2-(dimethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 131890592
2-chloro-N-cyclopropyl-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide
CID 55805084
N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-2-(4-sulfamoylphenyl)acetamide
CID 56511329
N-[(2R)-2-cyclohexyl-2-(dimethylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94119173
N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-4-methyl-1,4-diazepane-1-carboxamide
CID 75369272
N-(3,4-difluorophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanamide
CID 20946932
N-(2-methyl-1-benzofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 131942160
N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41377657
N-(4-methylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51290114
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 131891075

Frequently Asked Questions

What is the IUPAC name of N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 55802204) is N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1.
What is the InChIKey of N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is NGNQSQVKPXHWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN4O/c1-15-19(16(2)27(4)25-15)11-13-22(28)24-17-10-12-21(20(23)14-17)26(3)18-8-6-5-7-9-18/h10,12,14,18H,5-9,11,13H2,1-4H3,(H,24,28).
What are the key properties of N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 386.52 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 55802204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).