5-amino-3-(3-chloroanilino)-N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide

C16H12Cl2FN5O — CID 164608622

IUPAC5-amino-3-(3-chloroanilino)-N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESNc1[nH]nc(Nc2cccc(Cl)c2)c1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H12Cl2FN5O/c17-8-2-1-3-9(6-8)21-15-13(14(20)23-24-15)16(25)22-10-4-5-12(19)11(18)7-10/h1-7H,(H,22,25)(H4,20,21,23,24)
InChIKeyIMQNXFAARVSJGN-UHFFFAOYSA-N
MW380.21 g/mol
LogP4.43
Rot. Bonds4

About 5-amino-3-(3-chloroanilino)-N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide

5-amino-3-(3-chloroanilino)-N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide (PubChem CID 164608622) has the molecular formula C16H12Cl2FN5O and a molecular weight of 380.21 g/mol. Its IUPAC name is 5-amino-3-(3-chloroanilino)-N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-(3-chloroanilino)-N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide
PubChem CID164608622
Molecular FormulaC16H12Cl2FN5O
Molecular Weight380.21 g/mol
Exact Mass379.04
IUPAC Name5-amino-3-(3-chloroanilino)-N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESNc1[nH]nc(Nc2cccc(Cl)c2)c1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H12Cl2FN5O/c17-8-2-1-3-9(6-8)21-15-13(14(20)23-24-15)16(25)22-10-4-5-12(19)11(18)7-10/h1-7H,(H,22,25)(H4,20,21,23,24)
InChIKeyIMQNXFAARVSJGN-UHFFFAOYSA-N
XLogP4.43
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.21
LogP ≤ 54.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(3-chloroanilino)-N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-(3-chloroanilino)-N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide (CID 164608622) is 5-amino-3-(3-chloroanilino)-N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-(3-chloroanilino)-N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-(3-chloroanilino)-N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide is Nc1[nH]nc(Nc2cccc(Cl)c2)c1C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 5-amino-3-(3-chloroanilino)-N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is IMQNXFAARVSJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2FN5O/c17-8-2-1-3-9(6-8)21-15-13(14(20)23-24-15)16(25)22-10-4-5-12(19)11(18)7-10/h1-7H,(H,22,25)(H4,20,21,23,24).
What are the key properties of 5-amino-3-(3-chloroanilino)-N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide?
5-amino-3-(3-chloroanilino)-N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 380.21 g/mol, XLogP of 4.43, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(3-chloroanilino)-N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 164608622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).