5-amino-1-(2-fluorophenyl)-N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]pyrazole-4-carboxamide

C21H18FN7O2 — CID 59735130

IUPAC5-amino-1-(2-fluorophenyl)-N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]pyrazole-4-carboxamide
SMILESCc1ccc(C(=O)Nc2ccn[nH]2)cc1NC(=O)c1cnn(-c2ccccc2F)c1N
InChIInChI=1S/C21H18FN7O2/c1-12-6-7-13(20(30)27-18-8-9-24-28-18)10-16(12)26-21(31)14-11-25-29(19(14)23)17-5-3-2-4-15(17)22/h2-11H,23H2,1H3,(H,26,31)(H2,24,27,28,30)
InChIKeyUVVGGYRXJFIIAG-UHFFFAOYSA-N
MW419.42 g/mol
LogP3.13
Rot. Bonds5

About 5-amino-1-(2-fluorophenyl)-N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]pyrazole-4-carboxamide

5-amino-1-(2-fluorophenyl)-N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]pyrazole-4-carboxamide (PubChem CID 59735130) has the molecular formula C21H18FN7O2 and a molecular weight of 419.42 g/mol. Its IUPAC name is 5-amino-1-(2-fluorophenyl)-N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(2-fluorophenyl)-N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]pyrazole-4-carboxamide
PubChem CID59735130
Molecular FormulaC21H18FN7O2
Molecular Weight419.42 g/mol
Exact Mass419.15
IUPAC Name5-amino-1-(2-fluorophenyl)-N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]pyrazole-4-carboxamide
SMILESCc1ccc(C(=O)Nc2ccn[nH]2)cc1NC(=O)c1cnn(-c2ccccc2F)c1N
InChIInChI=1S/C21H18FN7O2/c1-12-6-7-13(20(30)27-18-8-9-24-28-18)10-16(12)26-21(31)14-11-25-29(19(14)23)17-5-3-2-4-15(17)22/h2-11H,23H2,1H3,(H,26,31)(H2,24,27,28,30)
InChIKeyUVVGGYRXJFIIAG-UHFFFAOYSA-N
XLogP3.13
TPSA130.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.42
LogP ≤ 53.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-fluorophenyl)-N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(2-fluorophenyl)-N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]pyrazole-4-carboxamide (CID 59735130) is 5-amino-1-(2-fluorophenyl)-N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(2-fluorophenyl)-N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(2-fluorophenyl)-N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]pyrazole-4-carboxamide is Cc1ccc(C(=O)Nc2ccn[nH]2)cc1NC(=O)c1cnn(-c2ccccc2F)c1N.
What is the InChIKey of 5-amino-1-(2-fluorophenyl)-N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is UVVGGYRXJFIIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN7O2/c1-12-6-7-13(20(30)27-18-8-9-24-28-18)10-16(12)26-21(31)14-11-25-29(19(14)23)17-5-3-2-4-15(17)22/h2-11H,23H2,1H3,(H,26,31)(H2,24,27,28,30).
What are the key properties of 5-amino-1-(2-fluorophenyl)-N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]pyrazole-4-carboxamide?
5-amino-1-(2-fluorophenyl)-N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 419.42 g/mol, XLogP of 3.13, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-fluorophenyl)-N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 59735130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).