N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-1-benzyl-5-ethylpyrazole-4-carboxamide

C23H25N5O3 — CID 78902698

IUPACN-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-1-benzyl-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)cnn1Cc1ccccc1
InChIInChI=1S/C23H25N5O3/c1-2-20-19(13-27-28(20)15-17-6-4-3-5-7-17)23(31)25-12-16-8-10-18(11-9-16)22(30)26-14-21(24)29/h3-11,13H,2,12,14-15H2,1H3,(H2,24,29)(H,25,31)(H,26,30)
InChIKeyAPSQFMPKDHLNLB-UHFFFAOYSA-N
MW419.49 g/mol
LogP1.64
Rot. Bonds9

About N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-1-benzyl-5-ethylpyrazole-4-carboxamide

N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-1-benzyl-5-ethylpyrazole-4-carboxamide (PubChem CID 78902698) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-1-benzyl-5-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-1-benzyl-5-ethylpyrazole-4-carboxamide
PubChem CID78902698
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC NameN-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-1-benzyl-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)cnn1Cc1ccccc1
InChIInChI=1S/C23H25N5O3/c1-2-20-19(13-27-28(20)15-17-6-4-3-5-7-17)23(31)25-12-16-8-10-18(11-9-16)22(30)26-14-21(24)29/h3-11,13H,2,12,14-15H2,1H3,(H2,24,29)(H,25,31)(H,26,30)
InChIKeyAPSQFMPKDHLNLB-UHFFFAOYSA-N
XLogP1.64
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-[[4-(ethoxymethyl)phenyl]methyl]-5-ethylpyrazole-4-carboxamide
CID 78872826
1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-5-ethylpyrazole-4-carboxamide
CID 78874236
1-benzyl-5-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 78873007
1-benzyl-5-ethyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 78873764
1-benzyl-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide
CID 78874296
3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]butanoic acid
CID 119347896
1-benzyl-5-ethyl-N-(2-phenoxyethyl)pyrazole-4-carboxamide
CID 78873047
2-benzyl-3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]propanoic acid
CID 120525129
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 60516632
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-(4-ethylphenyl)-1-phenylpyrazole-4-carboxamide
CID 60516734
1-benzyl-N-(3-ethoxypropyl)-5-ethylpyrazole-4-carboxamide
CID 78872514
1-benzyl-N-[2-(2,6-difluorophenyl)ethyl]-5-ethylpyrazole-4-carboxamide
CID 78892567

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-1-benzyl-5-ethylpyrazole-4-carboxamide?
The IUPAC name of N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-1-benzyl-5-ethylpyrazole-4-carboxamide (CID 78902698) is N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-1-benzyl-5-ethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-1-benzyl-5-ethylpyrazole-4-carboxamide?
The canonical SMILES for N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-1-benzyl-5-ethylpyrazole-4-carboxamide is CCc1c(C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)cnn1Cc1ccccc1.
What is the InChIKey of N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-1-benzyl-5-ethylpyrazole-4-carboxamide?
The InChIKey is APSQFMPKDHLNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-2-20-19(13-27-28(20)15-17-6-4-3-5-7-17)23(31)25-12-16-8-10-18(11-9-16)22(30)26-14-21(24)29/h3-11,13H,2,12,14-15H2,1H3,(H2,24,29)(H,25,31)(H,26,30).
What are the key properties of N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-1-benzyl-5-ethylpyrazole-4-carboxamide?
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-1-benzyl-5-ethylpyrazole-4-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 1.64, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-1-benzyl-5-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 78902698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).