5-ethyl-N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2,4-dimethylpyrazole-3-carboxamide

C24H31FN6O — CID 92588191

IUPAC5-ethyl-N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2,4-dimethylpyrazole-3-carboxamide
SMILESCCc1nn(C)c(C(=O)NC2CCN(Cc3cc(-c4ccc(F)cc4)nn3C)CC2)c1C
InChIInChI=1S/C24H31FN6O/c1-5-21-16(2)23(30(4)27-21)24(32)26-19-10-12-31(13-11-19)15-20-14-22(28-29(20)3)17-6-8-18(25)9-7-17/h6-9,14,19H,5,10-13,15H2,1-4H3,(H,26,32)
InChIKeyQUJHMPGTQPDTFI-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.22
Rot. Bonds6

About 5-ethyl-N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2,4-dimethylpyrazole-3-carboxamide

5-ethyl-N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2,4-dimethylpyrazole-3-carboxamide (PubChem CID 92588191) has the molecular formula C24H31FN6O and a molecular weight of 438.55 g/mol. Its IUPAC name is 5-ethyl-N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2,4-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2,4-dimethylpyrazole-3-carboxamide
PubChem CID92588191
Molecular FormulaC24H31FN6O
Molecular Weight438.55 g/mol
Exact Mass438.25
IUPAC Name5-ethyl-N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2,4-dimethylpyrazole-3-carboxamide
SMILESCCc1nn(C)c(C(=O)NC2CCN(Cc3cc(-c4ccc(F)cc4)nn3C)CC2)c1C
InChIInChI=1S/C24H31FN6O/c1-5-21-16(2)23(30(4)27-21)24(32)26-19-10-12-31(13-11-19)15-20-14-22(28-29(20)3)17-6-8-18(25)9-7-17/h6-9,14,19H,5,10-13,15H2,1-4H3,(H,26,32)
InChIKeyQUJHMPGTQPDTFI-UHFFFAOYSA-N
XLogP3.22
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2,4-dimethylpyrazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2,4-dimethylpyrazole-3-carboxamide (CID 92588191) is 5-ethyl-N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2,4-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2,4-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2,4-dimethylpyrazole-3-carboxamide is CCc1nn(C)c(C(=O)NC2CCN(Cc3cc(-c4ccc(F)cc4)nn3C)CC2)c1C.
What is the InChIKey of 5-ethyl-N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2,4-dimethylpyrazole-3-carboxamide?
The InChIKey is QUJHMPGTQPDTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN6O/c1-5-21-16(2)23(30(4)27-21)24(32)26-19-10-12-31(13-11-19)15-20-14-22(28-29(20)3)17-6-8-18(25)9-7-17/h6-9,14,19H,5,10-13,15H2,1-4H3,(H,26,32).
What are the key properties of 5-ethyl-N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2,4-dimethylpyrazole-3-carboxamide?
5-ethyl-N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2,4-dimethylpyrazole-3-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2,4-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 92588191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).