5-amino-N-[5-[(2-ethylpyrazol-3-yl)carbamoyl]-2-methylphenyl]-1-phenylpyrazole-4-carboxamide

C23H23N7O2 — CID 52941332

IUPAC5-amino-N-[5-[(2-ethylpyrazol-3-yl)carbamoyl]-2-methylphenyl]-1-phenylpyrazole-4-carboxamide
SMILESCCn1nccc1NC(=O)c1ccc(C)c(NC(=O)c2cnn(-c3ccccc3)c2N)c1
InChIInChI=1S/C23H23N7O2/c1-3-29-20(11-12-25-29)28-22(31)16-10-9-15(2)19(13-16)27-23(32)18-14-26-30(21(18)24)17-7-5-4-6-8-17/h4-14H,3,24H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyCVMGGAWNRBFLIQ-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.48
Rot. Bonds6

About 5-amino-N-[5-[(2-ethylpyrazol-3-yl)carbamoyl]-2-methylphenyl]-1-phenylpyrazole-4-carboxamide

5-amino-N-[5-[(2-ethylpyrazol-3-yl)carbamoyl]-2-methylphenyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 52941332) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 5-amino-N-[5-[(2-ethylpyrazol-3-yl)carbamoyl]-2-methylphenyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[5-[(2-ethylpyrazol-3-yl)carbamoyl]-2-methylphenyl]-1-phenylpyrazole-4-carboxamide
PubChem CID52941332
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name5-amino-N-[5-[(2-ethylpyrazol-3-yl)carbamoyl]-2-methylphenyl]-1-phenylpyrazole-4-carboxamide
SMILESCCn1nccc1NC(=O)c1ccc(C)c(NC(=O)c2cnn(-c3ccccc3)c2N)c1
InChIInChI=1S/C23H23N7O2/c1-3-29-20(11-12-25-29)28-22(31)16-10-9-15(2)19(13-16)27-23(32)18-14-26-30(21(18)24)17-7-5-4-6-8-17/h4-14H,3,24H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyCVMGGAWNRBFLIQ-UHFFFAOYSA-N
XLogP3.48
TPSA119.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[5-[(2-ethylpyrazol-3-yl)carbamoyl]-2-methylphenyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[5-[(2-ethylpyrazol-3-yl)carbamoyl]-2-methylphenyl]-1-phenylpyrazole-4-carboxamide (CID 52941332) is 5-amino-N-[5-[(2-ethylpyrazol-3-yl)carbamoyl]-2-methylphenyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[5-[(2-ethylpyrazol-3-yl)carbamoyl]-2-methylphenyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[5-[(2-ethylpyrazol-3-yl)carbamoyl]-2-methylphenyl]-1-phenylpyrazole-4-carboxamide is CCn1nccc1NC(=O)c1ccc(C)c(NC(=O)c2cnn(-c3ccccc3)c2N)c1.
What is the InChIKey of 5-amino-N-[5-[(2-ethylpyrazol-3-yl)carbamoyl]-2-methylphenyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is CVMGGAWNRBFLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-3-29-20(11-12-25-29)28-22(31)16-10-9-15(2)19(13-16)27-23(32)18-14-26-30(21(18)24)17-7-5-4-6-8-17/h4-14H,3,24H2,1-2H3,(H,27,32)(H,28,31).
What are the key properties of 5-amino-N-[5-[(2-ethylpyrazol-3-yl)carbamoyl]-2-methylphenyl]-1-phenylpyrazole-4-carboxamide?
5-amino-N-[5-[(2-ethylpyrazol-3-yl)carbamoyl]-2-methylphenyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 3.48, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[5-[(2-ethylpyrazol-3-yl)carbamoyl]-2-methylphenyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 52941332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).