propan-2-yl 4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxylate

C14H17F2N5O3 — CID 4776896

IUPACpropan-2-yl 4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxylate
SMILESCCn1cc(NC(=O)c2ccnn2C(F)F)c(C(=O)OC(C)C)n1
InChIInChI=1S/C14H17F2N5O3/c1-4-20-7-9(11(19-20)13(23)24-8(2)3)18-12(22)10-5-6-17-21(10)14(15)16/h5-8,14H,4H2,1-3H3,(H,18,22)
InChIKeyQWRUZOODNHJRGA-UHFFFAOYSA-N
MW341.32 g/mol
LogP2.31
Rot. Bonds6

About propan-2-yl 4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxylate

propan-2-yl 4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxylate (PubChem CID 4776896) has the molecular formula C14H17F2N5O3 and a molecular weight of 341.32 g/mol. Its IUPAC name is propan-2-yl 4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxylate
PubChem CID4776896
Molecular FormulaC14H17F2N5O3
Molecular Weight341.32 g/mol
Exact Mass341.13
IUPAC Namepropan-2-yl 4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxylate
SMILESCCn1cc(NC(=O)c2ccnn2C(F)F)c(C(=O)OC(C)C)n1
InChIInChI=1S/C14H17F2N5O3/c1-4-20-7-9(11(19-20)13(23)24-8(2)3)18-12(22)10-5-6-17-21(10)14(15)16/h5-8,14H,4H2,1-3H3,(H,18,22)
InChIKeyQWRUZOODNHJRGA-UHFFFAOYSA-N
XLogP2.31
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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 1-[(1-methylpyrazol-5-yl)carbonyl]pyrazole-3-carboxylate
CID 672841
Methyl 2-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrazole-3-carboxylate
CID 19342184
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-[(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-(4-fluorobutylamino)-1-methylpyrazole-3-carboxylate
CID 155368466
Ethyl 1-propyl-4-(2,2,2-trifluoroethylamino)pyrazole-3-carboxylate
CID 156442988
Ethyl 2-(2,2-difluoropropyl)pyrazole-3-carboxylate;ethyl 2-(2-oxopropyl)pyrazole-3-carboxylate
CID 165020409
Ethyl 4-amino-1-(difluoromethyl)pyrazole-5-carboxylate
CID 171501572
Methyl 4-amino-1-(3,3,3-trifluoropropyl)pyrazole-5-carboxylate
CID 174686653

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxylate?
The IUPAC name of propan-2-yl 4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxylate (CID 4776896) is propan-2-yl 4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxylate.
What is the SMILES notation for propan-2-yl 4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxylate?
The canonical SMILES for propan-2-yl 4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxylate is CCn1cc(NC(=O)c2ccnn2C(F)F)c(C(=O)OC(C)C)n1.
What is the InChIKey of propan-2-yl 4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxylate?
The InChIKey is QWRUZOODNHJRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N5O3/c1-4-20-7-9(11(19-20)13(23)24-8(2)3)18-12(22)10-5-6-17-21(10)14(15)16/h5-8,14H,4H2,1-3H3,(H,18,22).
What are the key properties of propan-2-yl 4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxylate?
propan-2-yl 4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxylate has a molecular weight of 341.32 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxylate is sourced from PubChem (CID 4776896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).