N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide

C23H26FN5O2 — CID 55666540

IUPACN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cnn(-c2ccccn2)c1C(C)C
InChIInChI=1S/C23H26FN5O2/c1-4-28(15-21(30)26-13-17-8-10-18(24)11-9-17)23(31)19-14-27-29(22(19)16(2)3)20-7-5-6-12-25-20/h5-12,14,16H,4,13,15H2,1-3H3,(H,26,30)
InChIKeyDNFWCWQQEKXJSY-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.31
Rot. Bonds8

About N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide

N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 55666540) has the molecular formula C23H26FN5O2 and a molecular weight of 423.49 g/mol. Its IUPAC name is N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID55666540
Molecular FormulaC23H26FN5O2
Molecular Weight423.49 g/mol
Exact Mass423.21
IUPAC NameN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cnn(-c2ccccn2)c1C(C)C
InChIInChI=1S/C23H26FN5O2/c1-4-28(15-21(30)26-13-17-8-10-18(24)11-9-17)23(31)19-14-27-29(22(19)16(2)3)20-7-5-6-12-25-20/h5-12,14,16H,4,13,15H2,1-3H3,(H,26,30)
InChIKeyDNFWCWQQEKXJSY-UHFFFAOYSA-N
XLogP3.31
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide
CID 112814315
N-[[4-(ethoxymethyl)phenyl]methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 38008796
5-propan-2-yl-N-[(4-propan-2-yloxyphenyl)methyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55651429
5-propan-2-yl-1-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-4-carboxamide
CID 46430520
2-(4-fluorophenyl)-1-[4-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)piperazin-1-yl]ethanone
CID 46433118
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55512862
N-methyl-N-(naphthalen-2-ylmethyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46427085
2-[acetyl(pyridin-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 113163380
N'-[2-(1H-indol-3-yl)acetyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 46426954
N,5-diethyl-N-(2-ethylbutyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 60621587
N,N-diethyl-1-phenyl-5-propan-2-ylpyrazole-4-carboxamide
CID 11403408
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 18113075

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide (CID 55666540) is N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide is CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cnn(-c2ccccn2)c1C(C)C.
What is the InChIKey of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is DNFWCWQQEKXJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2/c1-4-28(15-21(30)26-13-17-8-10-18(24)11-9-17)23(31)19-14-27-29(22(19)16(2)3)20-7-5-6-12-25-20/h5-12,14,16H,4,13,15H2,1-3H3,(H,26,30).
What are the key properties of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 423.49 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 55666540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).