5-(4-fluoroanilino)-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide

C19H20FN5O2 — CID 121410220

IUPAC5-(4-fluoroanilino)-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
SMILESCc1cc(CNc2n[nH]c(Nc3ccc(F)cc3)c2C(N)=O)cc(C)c1O
InChIInChI=1S/C19H20FN5O2/c1-10-7-12(8-11(2)16(10)26)9-22-18-15(17(21)27)19(25-24-18)23-14-5-3-13(20)4-6-14/h3-8,26H,9H2,1-2H3,(H2,21,27)(H3,22,23,24,25)
InChIKeyIUXXACRCUMDJLW-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.33
Rot. Bonds6

About 5-(4-fluoroanilino)-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide

5-(4-fluoroanilino)-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide (PubChem CID 121410220) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is 5-(4-fluoroanilino)-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-fluoroanilino)-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
PubChem CID121410220
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC Name5-(4-fluoroanilino)-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
SMILESCc1cc(CNc2n[nH]c(Nc3ccc(F)cc3)c2C(N)=O)cc(C)c1O
InChIInChI=1S/C19H20FN5O2/c1-10-7-12(8-11(2)16(10)26)9-22-18-15(17(21)27)19(25-24-18)23-14-5-3-13(20)4-6-14/h3-8,26H,9H2,1-2H3,(H2,21,27)(H3,22,23,24,25)
InChIKeyIUXXACRCUMDJLW-UHFFFAOYSA-N
XLogP3.33
TPSA116.06 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoroanilino)-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-fluoroanilino)-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide (CID 121410220) is 5-(4-fluoroanilino)-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-fluoroanilino)-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-fluoroanilino)-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide is Cc1cc(CNc2n[nH]c(Nc3ccc(F)cc3)c2C(N)=O)cc(C)c1O.
What is the InChIKey of 5-(4-fluoroanilino)-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide?
The InChIKey is IUXXACRCUMDJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2/c1-10-7-12(8-11(2)16(10)26)9-22-18-15(17(21)27)19(25-24-18)23-14-5-3-13(20)4-6-14/h3-8,26H,9H2,1-2H3,(H2,21,27)(H3,22,23,24,25).
What are the key properties of 5-(4-fluoroanilino)-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide?
5-(4-fluoroanilino)-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 3.33, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoroanilino)-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 121410220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).