5-amino-3-anilino-N-(4-ethoxyphenyl)-1H-pyrazole-4-carboxamide

C18H19N5O2 — CID 53298003

IUPAC5-amino-3-anilino-N-(4-ethoxyphenyl)-1H-pyrazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2c(Nc3ccccc3)n[nH]c2N)cc1
InChIInChI=1S/C18H19N5O2/c1-2-25-14-10-8-13(9-11-14)21-18(24)15-16(19)22-23-17(15)20-12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,21,24)(H4,19,20,22,23)
InChIKeyPNRQMHMHJRIUKB-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.39
Rot. Bonds6

About 5-amino-3-anilino-N-(4-ethoxyphenyl)-1H-pyrazole-4-carboxamide

5-amino-3-anilino-N-(4-ethoxyphenyl)-1H-pyrazole-4-carboxamide (PubChem CID 53298003) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 5-amino-3-anilino-N-(4-ethoxyphenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-anilino-N-(4-ethoxyphenyl)-1H-pyrazole-4-carboxamide
PubChem CID53298003
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name5-amino-3-anilino-N-(4-ethoxyphenyl)-1H-pyrazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2c(Nc3ccccc3)n[nH]c2N)cc1
InChIInChI=1S/C18H19N5O2/c1-2-25-14-10-8-13(9-11-14)21-18(24)15-16(19)22-23-17(15)20-12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,21,24)(H4,19,20,22,23)
InChIKeyPNRQMHMHJRIUKB-UHFFFAOYSA-N
XLogP3.39
TPSA105.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-anilino-N-(4-ethoxyphenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-anilino-N-(4-ethoxyphenyl)-1H-pyrazole-4-carboxamide (CID 53298003) is 5-amino-3-anilino-N-(4-ethoxyphenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-anilino-N-(4-ethoxyphenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-anilino-N-(4-ethoxyphenyl)-1H-pyrazole-4-carboxamide is CCOc1ccc(NC(=O)c2c(Nc3ccccc3)n[nH]c2N)cc1.
What is the InChIKey of 5-amino-3-anilino-N-(4-ethoxyphenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is PNRQMHMHJRIUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-2-25-14-10-8-13(9-11-14)21-18(24)15-16(19)22-23-17(15)20-12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,21,24)(H4,19,20,22,23).
What are the key properties of 5-amino-3-anilino-N-(4-ethoxyphenyl)-1H-pyrazole-4-carboxamide?
5-amino-3-anilino-N-(4-ethoxyphenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.39, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-anilino-N-(4-ethoxyphenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 53298003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).