5-amino-1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C21H20F3N5O3 — CID 140861991

IUPAC5-amino-1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCC1(COc2ccccc2-n2ncc(C(=O)Nc3ccc(C(F)(F)F)cn3)c2N)COC1
InChIInChI=1S/C21H20F3N5O3/c1-20(10-31-11-20)12-32-16-5-3-2-4-15(16)29-18(25)14(9-27-29)19(30)28-17-7-6-13(8-26-17)21(22,23)24/h2-9H,10-12,25H2,1H3,(H,26,28,30)
InChIKeyFBVMYZXQXZSVLO-UHFFFAOYSA-N
MW447.42 g/mol
LogP3.54
Rot. Bonds6

About 5-amino-1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

5-amino-1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 140861991) has the molecular formula C21H20F3N5O3 and a molecular weight of 447.42 g/mol. Its IUPAC name is 5-amino-1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID140861991
Molecular FormulaC21H20F3N5O3
Molecular Weight447.42 g/mol
Exact Mass447.15
IUPAC Name5-amino-1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCC1(COc2ccccc2-n2ncc(C(=O)Nc3ccc(C(F)(F)F)cn3)c2N)COC1
InChIInChI=1S/C21H20F3N5O3/c1-20(10-31-11-20)12-32-16-5-3-2-4-15(16)29-18(25)14(9-27-29)19(30)28-17-7-6-13(8-26-17)21(22,23)24/h2-9H,10-12,25H2,1H3,(H,26,28,30)
InChIKeyFBVMYZXQXZSVLO-UHFFFAOYSA-N
XLogP3.54
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.42
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-1-(2-pyridin-3-ylphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 122640647
5-amino-1-[2-(2-amino-2-oxoethoxy)phenyl]-3-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 140861992
1-(1-aminoisoquinolin-4-yl)-5-(trifluoromethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 151570730
5-amino-N-(5-chloro-2-pyridinyl)-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 122640442
5-amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 122640535
N-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 25481374
1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]ethanone
CID 84685677
5-amino-1-(2-fluoro-6-methoxyphenyl)-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 122640471
methyl 2-[5-chloro-6-oxo-4-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]pyridazin-1-yl]benzoate
CID 32802441
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate
CID 31213264
5-amino-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
CID 82365365
5-amino-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
CID 24896989

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 140861991) is 5-amino-1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is CC1(COc2ccccc2-n2ncc(C(=O)Nc3ccc(C(F)(F)F)cn3)c2N)COC1.
What is the InChIKey of 5-amino-1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is FBVMYZXQXZSVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O3/c1-20(10-31-11-20)12-32-16-5-3-2-4-15(16)29-18(25)14(9-27-29)19(30)28-17-7-6-13(8-26-17)21(22,23)24/h2-9H,10-12,25H2,1H3,(H,26,28,30).
What are the key properties of 5-amino-1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
5-amino-1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 447.42 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 140861991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).