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

C11H12F3N5O — CID 19280641

IUPAC1,3-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1c(C(F)(F)F)n[nH]c1C
InChIInChI=1S/C11H12F3N5O/c1-5-7(4-19(3)18-5)10(20)15-8-6(2)16-17-9(8)11(12,13)14/h4H,1-3H3,(H,15,20)(H,16,17)
InChIKeyGNJVIOZHRZGLAU-UHFFFAOYSA-N
MW287.25 g/mol
LogP2.03
Rot. Bonds2

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

1,3-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-4-carboxamide (PubChem CID 19280641) has the molecular formula C11H12F3N5O and a molecular weight of 287.25 g/mol. Its IUPAC name is 1,3-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-4-carboxamide
PubChem CID19280641
Molecular FormulaC11H12F3N5O
Molecular Weight287.25 g/mol
Exact Mass287.10
IUPAC Name1,3-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1c(C(F)(F)F)n[nH]c1C
InChIInChI=1S/C11H12F3N5O/c1-5-7(4-19(3)18-5)10(20)15-8-6(2)16-17-9(8)11(12,13)14/h4H,1-3H3,(H,15,20)(H,16,17)
InChIKeyGNJVIOZHRZGLAU-UHFFFAOYSA-N
XLogP2.03
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-carbamoyl-1-ethylpyrazol-4-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 4772788
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 46968232
[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 56779550
N-[1-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72874137
N-(3-carbamoyl-1-methylpyrazol-4-yl)-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
CID 4771958
N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylpyrazole-4-carboxamide
CID 43547009
1-ethyl-5-methyl-N-{2-methyl-3-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-1H-pyrazole-4-carboxamide
CID 50965350
(1,5-dimethylpyrazol-4-yl)-N-{1-[(2,2,2-trifluoroethoxy)methyl]pyrazol-4-yl}ca rboxamide
CID 19584375
1,3-dimethyl-N-{1-[(2,2,2-trifluoroethoxy)methyl]-1H-pyrazol-4-yl}-1H-pyrazole-4-carboxamide
CID 19584423
3-(difluoromethyl)-1-methyl-N-pyrrolidin-1-ylpyrazole-4-carboxamide
CID 126483682
1-methyl-4-({[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]carbonyl}amino)-1H-pyrazole-3-carboxamide
CID 4768238
N-(3-carbamoyl-1-methyl-1H-pyrazol-4-yl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4768240

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-4-carboxamide (CID 19280641) is 1,3-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)Nc1c(C(F)(F)F)n[nH]c1C.
What is the InChIKey of 1,3-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-4-carboxamide?
The InChIKey is GNJVIOZHRZGLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O/c1-5-7(4-19(3)18-5)10(20)15-8-6(2)16-17-9(8)11(12,13)14/h4H,1-3H3,(H,15,20)(H,16,17).
What are the key properties of 1,3-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-4-carboxamide?
1,3-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-4-carboxamide has a molecular weight of 287.25 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 19280641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).