5-(ethylamino)-N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide

C22H25N5O2 — CID 52946354

IUPAC5-(ethylamino)-N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)c2cnn(-c3ccccc3)c2NCC)c1
InChIInChI=1S/C22H25N5O2/c1-4-23-20-18(14-25-27(20)17-9-7-6-8-10-17)22(29)26-19-13-16(12-11-15(19)3)21(28)24-5-2/h6-14,23H,4-5H2,1-3H3,(H,24,28)(H,26,29)
InChIKeyCOXLZDQSOZECDT-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.61
Rot. Bonds7

About 5-(ethylamino)-N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide

5-(ethylamino)-N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 52946354) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 5-(ethylamino)-N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide
PubChem CID52946354
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name5-(ethylamino)-N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)c2cnn(-c3ccccc3)c2NCC)c1
InChIInChI=1S/C22H25N5O2/c1-4-23-20-18(14-25-27(20)17-9-7-6-8-10-17)22(29)26-19-13-16(12-11-15(19)3)21(28)24-5-2/h6-14,23H,4-5H2,1-3H3,(H,24,28)(H,26,29)
InChIKeyCOXLZDQSOZECDT-UHFFFAOYSA-N
XLogP3.61
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-(ethylamino)-N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide (CID 52946354) is 5-(ethylamino)-N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide is CCNC(=O)c1ccc(C)c(NC(=O)c2cnn(-c3ccccc3)c2NCC)c1.
What is the InChIKey of 5-(ethylamino)-N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is COXLZDQSOZECDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-4-23-20-18(14-25-27(20)17-9-7-6-8-10-17)22(29)26-19-13-16(12-11-15(19)3)21(28)24-5-2/h6-14,23H,4-5H2,1-3H3,(H,24,28)(H,26,29).
What are the key properties of 5-(ethylamino)-N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide?
5-(ethylamino)-N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 3.61, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 52946354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).