N-[4-(2-amino-2-oxoethoxy)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide

C20H20N4O3 — CID 37437633

IUPACN-[4-(2-amino-2-oxoethoxy)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(OCC(N)=O)cc2)cnn1-c1ccccc1
InChIInChI=1S/C20H20N4O3/c1-2-18-17(12-22-24(18)15-6-4-3-5-7-15)20(26)23-14-8-10-16(11-9-14)27-13-19(21)25/h3-12H,2,13H2,1H3,(H2,21,25)(H,23,26)
InChIKeyXTCCGADCKDSKMY-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.55
Rot. Bonds7

About N-[4-(2-amino-2-oxoethoxy)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide

N-[4-(2-amino-2-oxoethoxy)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 37437633) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethoxy)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethoxy)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
PubChem CID37437633
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-[4-(2-amino-2-oxoethoxy)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(OCC(N)=O)cc2)cnn1-c1ccccc1
InChIInChI=1S/C20H20N4O3/c1-2-18-17(12-22-24(18)15-6-4-3-5-7-15)20(26)23-14-8-10-16(11-9-14)27-13-19(21)25/h3-12H,2,13H2,1H3,(H2,21,25)(H,23,26)
InChIKeyXTCCGADCKDSKMY-UHFFFAOYSA-N
XLogP2.55
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 46584032
N-(3,4-dimethylphenyl)-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 46577913
5-ethyl-N,1-bis(4-methylphenyl)pyrazole-4-carboxamide
CID 46584156
N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 55990233
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55608969
5-ethyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 60581323
N-[4-(2-amino-2-oxoethoxy)phenyl]-5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55608984
4-(2-amino-2-oxoethoxy)-N-phenylbenzamide
CID 27166758
N-(3,4-dimethoxyphenyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 31900906
N-[4-(4-chloroanilino)-4-oxobutyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 55946238
propan-2-yl 4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 91885717
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(5-ethyl-1-phenylpyrazol-4-yl)methanone
CID 39694464

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide (CID 37437633) is N-[4-(2-amino-2-oxoethoxy)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethoxy)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethoxy)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide is CCc1c(C(=O)Nc2ccc(OCC(N)=O)cc2)cnn1-c1ccccc1.
What is the InChIKey of N-[4-(2-amino-2-oxoethoxy)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is XTCCGADCKDSKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-2-18-17(12-22-24(18)15-6-4-3-5-7-15)20(26)23-14-8-10-16(11-9-14)27-13-19(21)25/h3-12H,2,13H2,1H3,(H2,21,25)(H,23,26).
What are the key properties of N-[4-(2-amino-2-oxoethoxy)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide?
N-[4-(2-amino-2-oxoethoxy)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethoxy)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 37437633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).