5-amino-3-[4-(2,4-difluorophenoxy)phenyl]-1-(1-methylpiperidin-3-yl)pyrazole-4-carboxamide

C22H23F2N5O2 — CID 154688367

IUPAC5-amino-3-[4-(2,4-difluorophenoxy)phenyl]-1-(1-methylpiperidin-3-yl)pyrazole-4-carboxamide
SMILESCN1CCCC(n2nc(-c3ccc(Oc4ccc(F)cc4F)cc3)c(C(N)=O)c2N)C1
InChIInChI=1S/C22H23F2N5O2/c1-28-10-2-3-15(12-28)29-21(25)19(22(26)30)20(27-29)13-4-7-16(8-5-13)31-18-9-6-14(23)11-17(18)24/h4-9,11,15H,2-3,10,12,25H2,1H3,(H2,26,30)
InChIKeyYSLFHPRPORJNAZ-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.57
Rot. Bonds5

About 5-amino-3-[4-(2,4-difluorophenoxy)phenyl]-1-(1-methylpiperidin-3-yl)pyrazole-4-carboxamide

5-amino-3-[4-(2,4-difluorophenoxy)phenyl]-1-(1-methylpiperidin-3-yl)pyrazole-4-carboxamide (PubChem CID 154688367) has the molecular formula C22H23F2N5O2 and a molecular weight of 427.46 g/mol. Its IUPAC name is 5-amino-3-[4-(2,4-difluorophenoxy)phenyl]-1-(1-methylpiperidin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[4-(2,4-difluorophenoxy)phenyl]-1-(1-methylpiperidin-3-yl)pyrazole-4-carboxamide
PubChem CID154688367
Molecular FormulaC22H23F2N5O2
Molecular Weight427.46 g/mol
Exact Mass427.18
IUPAC Name5-amino-3-[4-(2,4-difluorophenoxy)phenyl]-1-(1-methylpiperidin-3-yl)pyrazole-4-carboxamide
SMILESCN1CCCC(n2nc(-c3ccc(Oc4ccc(F)cc4F)cc3)c(C(N)=O)c2N)C1
InChIInChI=1S/C22H23F2N5O2/c1-28-10-2-3-15(12-28)29-21(25)19(22(26)30)20(27-29)13-4-7-16(8-5-13)31-18-9-6-14(23)11-17(18)24/h4-9,11,15H,2-3,10,12,25H2,1H3,(H2,26,30)
InChIKeyYSLFHPRPORJNAZ-UHFFFAOYSA-N
XLogP3.57
TPSA99.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-3-[4-(2,4-difluorophenoxy)phenyl]-1-[1-[(E)-5-hydroxypent-2-enoyl]piperidin-3-yl]pyrazole-4-carboxamide
CID 118445271
5-amino-1-[(3R)-1-cyanopiperidin-3-yl]-3-[4-(4-methylphenoxy)phenyl]pyrazole-4-carboxamide
CID 118445299
5-amino-3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]-1-[(3R)-1-formylpiperidin-3-yl]pyrazole-4-carboxamide
CID 126748810
5-amino-3-[4-(2,4-difluorophenoxy)phenyl]-1-[(3R)-1-[2-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexoxy]acetyl]piperidin-3-yl]pyrazole-4-carboxamide
CID 171346677
5-amino-1-(1-cyanopiperidin-3-yl)-3-[3-(3-fluoro-4-methylphenoxy)phenyl]pyrazole-4-carboxamide
CID 90136389
5-amino-3-[4-(4-chlorophenoxy)phenyl]-1-[1-[(E)-3-isocyanoprop-2-enoyl]piperidin-3-yl]pyrazole-4-carboxamide
CID 140813258
5-amino-3-[4-(4-chlorophenoxy)phenyl]-1-[(3R)-1-[(E)-3-isocyanoprop-2-enoyl]piperidin-3-yl]pyrazole-4-carboxamide
CID 123386977
5-amino-1-(1-cyanopiperidin-3-yl)-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]pyrazole-4-carboxamide
CID 90119149
5-amino-3-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-1-[1-(4-fluorobut-2-enoyl)piperidin-3-yl]pyrazole-4-carboxamide
CID 123921715
5-amino-1-(1-ethenylsulfonylpyrrolidin-3-yl)-3-(4-phenoxyphenyl)pyrazole-4-carboxamide
CID 129137329
5-amino-1-[1-[(Z)-3-isocyanoprop-2-enyl]piperidin-3-yl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide
CID 123242450
2-[4-(2,4-difluorophenoxy)phenyl]-7-(1-methylpiperidin-4-yl)-5H-imidazo[1,2-b]pyrazole-3-carboxamide
CID 166949393

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[4-(2,4-difluorophenoxy)phenyl]-1-(1-methylpiperidin-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[4-(2,4-difluorophenoxy)phenyl]-1-(1-methylpiperidin-3-yl)pyrazole-4-carboxamide (CID 154688367) is 5-amino-3-[4-(2,4-difluorophenoxy)phenyl]-1-(1-methylpiperidin-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[4-(2,4-difluorophenoxy)phenyl]-1-(1-methylpiperidin-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[4-(2,4-difluorophenoxy)phenyl]-1-(1-methylpiperidin-3-yl)pyrazole-4-carboxamide is CN1CCCC(n2nc(-c3ccc(Oc4ccc(F)cc4F)cc3)c(C(N)=O)c2N)C1.
What is the InChIKey of 5-amino-3-[4-(2,4-difluorophenoxy)phenyl]-1-(1-methylpiperidin-3-yl)pyrazole-4-carboxamide?
The InChIKey is YSLFHPRPORJNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O2/c1-28-10-2-3-15(12-28)29-21(25)19(22(26)30)20(27-29)13-4-7-16(8-5-13)31-18-9-6-14(23)11-17(18)24/h4-9,11,15H,2-3,10,12,25H2,1H3,(H2,26,30).
What are the key properties of 5-amino-3-[4-(2,4-difluorophenoxy)phenyl]-1-(1-methylpiperidin-3-yl)pyrazole-4-carboxamide?
5-amino-3-[4-(2,4-difluorophenoxy)phenyl]-1-(1-methylpiperidin-3-yl)pyrazole-4-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[4-(2,4-difluorophenoxy)phenyl]-1-(1-methylpiperidin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 154688367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).