N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C21H26FN5O — CID 55592890

IUPACN-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NC(C)c1cnn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C21H26FN5O/c1-13(24-21(28)11-10-19-14(2)25-26(5)15(19)3)20-12-23-27(16(20)4)18-8-6-17(22)7-9-18/h6-9,12-13H,10-11H2,1-5H3,(H,24,28)
InChIKeyJTFYBMOEGDYTCP-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.48
Rot. Bonds6

About N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 55592890) has the molecular formula C21H26FN5O and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID55592890
Molecular FormulaC21H26FN5O
Molecular Weight383.47 g/mol
Exact Mass383.21
IUPAC NameN-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NC(C)c1cnn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C21H26FN5O/c1-13(24-21(28)11-10-19-14(2)25-26(5)15(19)3)20-12-23-27(16(20)4)18-8-6-17(22)7-9-18/h6-9,12-13H,10-11H2,1-5H3,(H,24,28)
InChIKeyJTFYBMOEGDYTCP-UHFFFAOYSA-N
XLogP3.48
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 52523483
(2S)-N-[2-[[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 52523485
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]propanamide
CID 86944259
N-[(4-fluorophenyl)-phenylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 134035164
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CID 119729044
5-bromo-N-[2-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 55830958
N-(3-methylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 47141857
2-(5-fluoro-2-methylphenyl)-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]acetamide
CID 97152826
N-ethyl-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine
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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 55592890) is N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)NC(C)c1cnn(-c2ccc(F)cc2)c1C.
What is the InChIKey of N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is JTFYBMOEGDYTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O/c1-13(24-21(28)11-10-19-14(2)25-26(5)15(19)3)20-12-23-27(16(20)4)18-8-6-17(22)7-9-18/h6-9,12-13H,10-11H2,1-5H3,(H,24,28).
What are the key properties of N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 383.47 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 55592890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).