methyl 4-[[1-(2,2-difluoroethyl)pyrazole-3-carbonyl]amino]-1H-pyrazole-5-carboxylate

C11H11F2N5O3 — CID 154862546

IUPACmethyl 4-[[1-(2,2-difluoroethyl)pyrazole-3-carbonyl]amino]-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1[nH]ncc1NC(=O)c1ccn(CC(F)F)n1
InChIInChI=1S/C11H11F2N5O3/c1-21-11(20)9-7(4-14-16-9)15-10(19)6-2-3-18(17-6)5-8(12)13/h2-4,8H,5H2,1H3,(H,14,16)(H,15,19)
InChIKeyVQBZESFGGMXNBH-UHFFFAOYSA-N
MW299.24 g/mol
LogP0.91
Rot. Bonds5

About methyl 4-[[1-(2,2-difluoroethyl)pyrazole-3-carbonyl]amino]-1H-pyrazole-5-carboxylate

methyl 4-[[1-(2,2-difluoroethyl)pyrazole-3-carbonyl]amino]-1H-pyrazole-5-carboxylate (PubChem CID 154862546) has the molecular formula C11H11F2N5O3 and a molecular weight of 299.24 g/mol. Its IUPAC name is methyl 4-[[1-(2,2-difluoroethyl)pyrazole-3-carbonyl]amino]-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[1-(2,2-difluoroethyl)pyrazole-3-carbonyl]amino]-1H-pyrazole-5-carboxylate
PubChem CID154862546
Molecular FormulaC11H11F2N5O3
Molecular Weight299.24 g/mol
Exact Mass299.08
IUPAC Namemethyl 4-[[1-(2,2-difluoroethyl)pyrazole-3-carbonyl]amino]-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1[nH]ncc1NC(=O)c1ccn(CC(F)F)n1
InChIInChI=1S/C11H11F2N5O3/c1-21-11(20)9-7(4-14-16-9)15-10(19)6-2-3-18(17-6)5-8(12)13/h2-4,8H,5H2,1H3,(H,14,16)(H,15,19)
InChIKeyVQBZESFGGMXNBH-UHFFFAOYSA-N
XLogP0.91
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[1-(2,2-difluoroethyl)pyrazole-3-carbonyl]amino]-1H-pyrazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,2-difluoroethyl)-N-(5-phenyl-1H-pyrazol-4-yl)pyrazole-3-carboxamide
CID 154864337
1-(2,2-difluoroethyl)pyrazole-3-carboxylic acid;ethane
CID 145001463
methyl 4-[(2-bromobenzoyl)amino]-1H-pyrazole-5-carboxylate
CID 146090075
methyl 5-[[1-(2,2-difluoroethyl)pyrazol-3-yl]carbamoyl]pyridine-3-carboxylate
CID 71905723
methyl 1-ethyl-4-[[1-[(4-fluorophenoxy)methyl]pyrazole-3-carbonyl]amino]pyrazole-3-carboxylate
CID 19269450
methyl 4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1H-pyrazole-5-carboxylate
CID 141493475
ethyl 4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylate
CID 59733474
2-[3-[[2-(difluoromethoxy)-5-methylphenyl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500233
methyl 4-[(2-naphthalen-1-ylacetyl)amino]-1H-pyrazole-5-carboxylate
CID 52941226
2-(5-methoxycarbonyl-1H-pyrazol-4-yl)acetic acid
CID 83876349
N-[4-(difluoromethoxy)-2-methylphenyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19280016
N-(4-ethylphenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269256

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-(2,2-difluoroethyl)pyrazole-3-carbonyl]amino]-1H-pyrazole-5-carboxylate?
The IUPAC name of methyl 4-[[1-(2,2-difluoroethyl)pyrazole-3-carbonyl]amino]-1H-pyrazole-5-carboxylate (CID 154862546) is methyl 4-[[1-(2,2-difluoroethyl)pyrazole-3-carbonyl]amino]-1H-pyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-[[1-(2,2-difluoroethyl)pyrazole-3-carbonyl]amino]-1H-pyrazole-5-carboxylate?
The canonical SMILES for methyl 4-[[1-(2,2-difluoroethyl)pyrazole-3-carbonyl]amino]-1H-pyrazole-5-carboxylate is COC(=O)c1[nH]ncc1NC(=O)c1ccn(CC(F)F)n1.
What is the InChIKey of methyl 4-[[1-(2,2-difluoroethyl)pyrazole-3-carbonyl]amino]-1H-pyrazole-5-carboxylate?
The InChIKey is VQBZESFGGMXNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N5O3/c1-21-11(20)9-7(4-14-16-9)15-10(19)6-2-3-18(17-6)5-8(12)13/h2-4,8H,5H2,1H3,(H,14,16)(H,15,19).
What are the key properties of methyl 4-[[1-(2,2-difluoroethyl)pyrazole-3-carbonyl]amino]-1H-pyrazole-5-carboxylate?
methyl 4-[[1-(2,2-difluoroethyl)pyrazole-3-carbonyl]amino]-1H-pyrazole-5-carboxylate has a molecular weight of 299.24 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-(2,2-difluoroethyl)pyrazole-3-carbonyl]amino]-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 154862546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).