1-benzyl-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-5-ethylpyrazole-4-carboxamide

C22H23ClN4O2 — CID 78873511

IUPAC1-benzyl-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)cnn1Cc1ccccc1
InChIInChI=1S/C22H23ClN4O2/c1-4-20-18(13-24-27(20)14-15-8-6-5-7-9-15)21(28)25-16-10-11-19(23)17(12-16)22(29)26(2)3/h5-13H,4,14H2,1-3H3,(H,25,28)
InChIKeyMNQHUBLWXKQYGD-UHFFFAOYSA-N
MW410.91 g/mol
LogP4.10
Rot. Bonds6

About 1-benzyl-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-5-ethylpyrazole-4-carboxamide

1-benzyl-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-5-ethylpyrazole-4-carboxamide (PubChem CID 78873511) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is 1-benzyl-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-5-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-5-ethylpyrazole-4-carboxamide
PubChem CID78873511
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Name1-benzyl-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)cnn1Cc1ccccc1
InChIInChI=1S/C22H23ClN4O2/c1-4-20-18(13-24-27(20)14-15-8-6-5-7-9-15)21(28)25-16-10-11-19(23)17(12-16)22(29)26(2)3/h5-13H,4,14H2,1-3H3,(H,25,28)
InChIKeyMNQHUBLWXKQYGD-UHFFFAOYSA-N
XLogP4.10
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[4-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]carbamate
CID 78890376
N-(3-acetamido-4-methoxyphenyl)-1-benzyl-5-ethylpyrazole-4-carboxamide
CID 78873610
1-benzyl-5-ethyl-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyrazole-4-carboxamide
CID 78873269
1-benzyl-N-[3-(difluoromethoxy)phenyl]-5-ethylpyrazole-4-carboxamide
CID 78889307
1-benzyl-N-[2-(3-chloroanilino)-2-oxoethyl]-5-ethyl-N-methylpyrazole-4-carboxamide
CID 78873289
1-benzyl-5-ethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide
CID 78872958
N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 55990233
1-benzyl-N-(2-bromophenyl)-5-ethylpyrazole-4-carboxamide
CID 78874152
1-benzyl-5-ethyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 78887495
1-benzyl-5-ethyl-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrazole-4-carboxamide
CID 78873277
1-benzyl-5-ethyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 78873764
N,1-dibenzyl-5-ethyl-N-methylpyrazole-4-carboxamide
CID 78874071

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-5-ethylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-5-ethylpyrazole-4-carboxamide (CID 78873511) is 1-benzyl-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-5-ethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-5-ethylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-5-ethylpyrazole-4-carboxamide is CCc1c(C(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)cnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-5-ethylpyrazole-4-carboxamide?
The InChIKey is MNQHUBLWXKQYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-4-20-18(13-24-27(20)14-15-8-6-5-7-9-15)21(28)25-16-10-11-19(23)17(12-16)22(29)26(2)3/h5-13H,4,14H2,1-3H3,(H,25,28).
What are the key properties of 1-benzyl-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-5-ethylpyrazole-4-carboxamide?
1-benzyl-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-5-ethylpyrazole-4-carboxamide has a molecular weight of 410.91 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-5-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 78873511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).