5-amino-3-[4-[(2,5-difluorophenyl)carbamoylamino]phenyl]-1-methylpyrazole-4-carboxamide

C18H16F2N6O2 — CID 10194062

IUPAC5-amino-3-[4-[(2,5-difluorophenyl)carbamoylamino]phenyl]-1-methylpyrazole-4-carboxamide
SMILESCn1nc(-c2ccc(NC(=O)Nc3cc(F)ccc3F)cc2)c(C(N)=O)c1N
InChIInChI=1S/C18H16F2N6O2/c1-26-16(21)14(17(22)27)15(25-26)9-2-5-11(6-3-9)23-18(28)24-13-8-10(19)4-7-12(13)20/h2-8H,21H2,1H3,(H2,22,27)(H2,23,24,28)
InChIKeyILBKYTLOHYRBKV-UHFFFAOYSA-N
MW386.36 g/mol
LogP2.69
Rot. Bonds4

About 5-amino-3-[4-[(2,5-difluorophenyl)carbamoylamino]phenyl]-1-methylpyrazole-4-carboxamide

5-amino-3-[4-[(2,5-difluorophenyl)carbamoylamino]phenyl]-1-methylpyrazole-4-carboxamide (PubChem CID 10194062) has the molecular formula C18H16F2N6O2 and a molecular weight of 386.36 g/mol. Its IUPAC name is 5-amino-3-[4-[(2,5-difluorophenyl)carbamoylamino]phenyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[4-[(2,5-difluorophenyl)carbamoylamino]phenyl]-1-methylpyrazole-4-carboxamide
PubChem CID10194062
Molecular FormulaC18H16F2N6O2
Molecular Weight386.36 g/mol
Exact Mass386.13
IUPAC Name5-amino-3-[4-[(2,5-difluorophenyl)carbamoylamino]phenyl]-1-methylpyrazole-4-carboxamide
SMILESCn1nc(-c2ccc(NC(=O)Nc3cc(F)ccc3F)cc2)c(C(N)=O)c1N
InChIInChI=1S/C18H16F2N6O2/c1-26-16(21)14(17(22)27)15(25-26)9-2-5-11(6-3-9)23-18(28)24-13-8-10(19)4-7-12(13)20/h2-8H,21H2,1H3,(H2,22,27)(H2,23,24,28)
InChIKeyILBKYTLOHYRBKV-UHFFFAOYSA-N
XLogP2.69
TPSA128.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 52.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[4-[(2,5-difluorophenyl)carbamoylamino]phenyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[4-[(2,5-difluorophenyl)carbamoylamino]phenyl]-1-methylpyrazole-4-carboxamide (CID 10194062) is 5-amino-3-[4-[(2,5-difluorophenyl)carbamoylamino]phenyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[4-[(2,5-difluorophenyl)carbamoylamino]phenyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[4-[(2,5-difluorophenyl)carbamoylamino]phenyl]-1-methylpyrazole-4-carboxamide is Cn1nc(-c2ccc(NC(=O)Nc3cc(F)ccc3F)cc2)c(C(N)=O)c1N.
What is the InChIKey of 5-amino-3-[4-[(2,5-difluorophenyl)carbamoylamino]phenyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is ILBKYTLOHYRBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N6O2/c1-26-16(21)14(17(22)27)15(25-26)9-2-5-11(6-3-9)23-18(28)24-13-8-10(19)4-7-12(13)20/h2-8H,21H2,1H3,(H2,22,27)(H2,23,24,28).
What are the key properties of 5-amino-3-[4-[(2,5-difluorophenyl)carbamoylamino]phenyl]-1-methylpyrazole-4-carboxamide?
5-amino-3-[4-[(2,5-difluorophenyl)carbamoylamino]phenyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 386.36 g/mol, XLogP of 2.69, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[4-[(2,5-difluorophenyl)carbamoylamino]phenyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 10194062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).