N-[1-(methoxymethyl)pyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

C11H12F3N5O2 — CID 19267801

IUPACN-[1-(methoxymethyl)pyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCOCn1cc(NC(=O)c2cc(C(F)(F)F)n(C)n2)cn1
InChIInChI=1S/C11H12F3N5O2/c1-18-9(11(12,13)14)3-8(17-18)10(20)16-7-4-15-19(5-7)6-21-2/h3-5H,6H2,1-2H3,(H,16,20)
InChIKeyIEHKCWYQPMPPNQ-UHFFFAOYSA-N
MW303.24 g/mol
LogP1.49
Rot. Bonds4

About N-[1-(methoxymethyl)pyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

N-[1-(methoxymethyl)pyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 19267801) has the molecular formula C11H12F3N5O2 and a molecular weight of 303.24 g/mol. Its IUPAC name is N-[1-(methoxymethyl)pyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(methoxymethyl)pyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID19267801
Molecular FormulaC11H12F3N5O2
Molecular Weight303.24 g/mol
Exact Mass303.09
IUPAC NameN-[1-(methoxymethyl)pyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCOCn1cc(NC(=O)c2cc(C(F)(F)F)n(C)n2)cn1
InChIInChI=1S/C11H12F3N5O2/c1-18-9(11(12,13)14)3-8(17-18)10(20)16-7-4-15-19(5-7)6-21-2/h3-5H,6H2,1-2H3,(H,16,20)
InChIKeyIEHKCWYQPMPPNQ-UHFFFAOYSA-N
XLogP1.49
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267705
N-[1-(methoxymethyl)pyrazol-4-yl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19453795
4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 19475994
1-ethyl-N-[1-(methoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19262380
1-methyl-N-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 47001916
N-(3-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267596
5-cyclopropyl-N-[1-(methoxymethyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19451430
4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19411114
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267637
1-[1-(methoxymethyl)pyrazol-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 19449693
3-fluoro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19410971
4-chloro-1,5-dimethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19266948

Frequently Asked Questions

What is the IUPAC name of N-[1-(methoxymethyl)pyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[1-(methoxymethyl)pyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 19267801) is N-[1-(methoxymethyl)pyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(methoxymethyl)pyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[1-(methoxymethyl)pyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is COCn1cc(NC(=O)c2cc(C(F)(F)F)n(C)n2)cn1.
What is the InChIKey of N-[1-(methoxymethyl)pyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is IEHKCWYQPMPPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O2/c1-18-9(11(12,13)14)3-8(17-18)10(20)16-7-4-15-19(5-7)6-21-2/h3-5H,6H2,1-2H3,(H,16,20).
What are the key properties of N-[1-(methoxymethyl)pyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
N-[1-(methoxymethyl)pyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 303.24 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methoxymethyl)pyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19267801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).