1-benzyl-5-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide

C23H23N5O — CID 78873007

IUPAC1-benzyl-5-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCc2cnn(-c3ccccc3)c2)cnn1Cc1ccccc1
InChIInChI=1S/C23H23N5O/c1-2-22-21(15-26-28(22)16-18-9-5-3-6-10-18)23(29)24-13-19-14-25-27(17-19)20-11-7-4-8-12-20/h3-12,14-15,17H,2,13,16H2,1H3,(H,24,29)
InChIKeyDPBSXVMVVHYYNR-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.61
Rot. Bonds7

About 1-benzyl-5-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide

1-benzyl-5-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide (PubChem CID 78873007) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-benzyl-5-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
PubChem CID78873007
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name1-benzyl-5-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCc2cnn(-c3ccccc3)c2)cnn1Cc1ccccc1
InChIInChI=1S/C23H23N5O/c1-2-22-21(15-26-28(22)16-18-9-5-3-6-10-18)23(29)24-13-19-14-25-27(17-19)20-11-7-4-8-12-20/h3-12,14-15,17H,2,13,16H2,1H3,(H,24,29)
InChIKeyDPBSXVMVVHYYNR-UHFFFAOYSA-N
XLogP3.61
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.61
H-Bond Donors ≤ 51
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-5-ethyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 78873764
1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-5-ethylpyrazole-4-carboxamide
CID 78874236
1-benzyl-5-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide
CID 78902129
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-1-benzyl-5-ethylpyrazole-4-carboxamide
CID 78902698
2-benzyl-3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]propanoic acid
CID 120525129
2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]furan-3-carboxamide
CID 106685695
1-benzyl-5-ethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazole-4-carboxamide
CID 78873548
2,5-dichloro-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-3-carboxamide
CID 42044485
5-bromo-2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 134036052
1-benzyl-5-ethyl-N-(2-phenoxyethyl)pyrazole-4-carboxamide
CID 78873047
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 86968538

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide (CID 78873007) is 1-benzyl-5-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide is CCc1c(C(=O)NCc2cnn(-c3ccccc3)c2)cnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is DPBSXVMVVHYYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-2-22-21(15-26-28(22)16-18-9-5-3-6-10-18)23(29)24-13-19-14-25-27(17-19)20-11-7-4-8-12-20/h3-12,14-15,17H,2,13,16H2,1H3,(H,24,29).
What are the key properties of 1-benzyl-5-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide?
1-benzyl-5-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 78873007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).