methyl 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-methylpyrazole-3-carboxylate

C13H15F2N5O3 — CID 19341567

IUPACmethyl 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-methylpyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)cc1NC(=O)Cn1nc(C(F)F)cc1C
InChIInChI=1S/C13H15F2N5O3/c1-7-4-8(12(14)15)17-20(7)6-10(21)16-9-5-19(2)18-11(9)13(22)23-3/h4-5,12H,6H2,1-3H3,(H,16,21)
InChIKeyRBSMEADNSCOLGQ-UHFFFAOYSA-N
MW327.29 g/mol
LogP1.29
Rot. Bonds5

About methyl 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-methylpyrazole-3-carboxylate

methyl 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-methylpyrazole-3-carboxylate (PubChem CID 19341567) has the molecular formula C13H15F2N5O3 and a molecular weight of 327.29 g/mol. Its IUPAC name is methyl 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-methylpyrazole-3-carboxylate
PubChem CID19341567
Molecular FormulaC13H15F2N5O3
Molecular Weight327.29 g/mol
Exact Mass327.11
IUPAC Namemethyl 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-methylpyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)cc1NC(=O)Cn1nc(C(F)F)cc1C
InChIInChI=1S/C13H15F2N5O3/c1-7-4-8(12(14)15)17-20(7)6-10(21)16-9-5-19(2)18-11(9)13(22)23-3/h4-5,12H,6H2,1-3H3,(H,16,21)
InChIKeyRBSMEADNSCOLGQ-UHFFFAOYSA-N
XLogP1.29
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-methylpyrazole-3-carboxylate with MolForge

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Related Compounds

Methyl 4-{[2-(4-chloro-5-methyl-1H-pyrazol-1-YL)propanoyl]amino}-1-ethyl-1H-pyrazole-3-carboxylate
CID 4776743
methyl 4-amino-1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxylate hydrochloride
CID 146155798
1-methyl-4-({2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}amino)-1H-pyrazole-5-carboxamide
CID 4771296
4-({3-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}amino)-1-methyl-1H-pyrazole-5-carboxylic acid
CID 19584809
Methyl 2-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrazole-3-carboxylate
CID 19342184
methyl 1-[1-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl]-4-piperidinyl]-1H-pyrazole-3-carboxylate
CID 67460010
Methyl 4-amino-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate
CID 107344387
Methyl 4-amino-1-(3,3,3-trifluoropropyl)pyrazole-3-carboxylate
CID 107344625
Methyl 4-amino-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate
CID 124086797
Methyl 4-[(2,2,2-trifluoroacetyl)amino]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate
CID 124086798
Methyl 2-(cyclopropylmethyl)-4-[(2,2,2-trifluoroacetyl)amino]pyrazole-3-carboxylate
CID 124086921
Methyl 4-amino-2-(2,2-difluoroethyl)pyrazole-3-carboxylate
CID 134278256

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-methylpyrazole-3-carboxylate?
The IUPAC name of methyl 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-methylpyrazole-3-carboxylate (CID 19341567) is methyl 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-methylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-methylpyrazole-3-carboxylate?
The canonical SMILES for methyl 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-methylpyrazole-3-carboxylate is COC(=O)c1nn(C)cc1NC(=O)Cn1nc(C(F)F)cc1C.
What is the InChIKey of methyl 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-methylpyrazole-3-carboxylate?
The InChIKey is RBSMEADNSCOLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N5O3/c1-7-4-8(12(14)15)17-20(7)6-10(21)16-9-5-19(2)18-11(9)13(22)23-3/h4-5,12H,6H2,1-3H3,(H,16,21).
What are the key properties of methyl 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-methylpyrazole-3-carboxylate?
methyl 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-methylpyrazole-3-carboxylate has a molecular weight of 327.29 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-methylpyrazole-3-carboxylate is sourced from PubChem (CID 19341567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).