N-[3-(2,5-dioxoimidazolidin-1-yl)-4-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide

C15H14FN5O3 — CID 100633471

IUPACN-[3-(2,5-dioxoimidazolidin-1-yl)-4-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)c(N3C(=O)CNC3=O)c2)n(C)n1
InChIInChI=1S/C15H14FN5O3/c1-8-5-12(20(2)19-8)14(23)18-9-3-4-10(16)11(6-9)21-13(22)7-17-15(21)24/h3-6H,7H2,1-2H3,(H,17,24)(H,18,23)
InChIKeySHAVMKMYQNIHAK-UHFFFAOYSA-N
MW331.31 g/mol
LogP1.18
Rot. Bonds3

About N-[3-(2,5-dioxoimidazolidin-1-yl)-4-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide

N-[3-(2,5-dioxoimidazolidin-1-yl)-4-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 100633471) has the molecular formula C15H14FN5O3 and a molecular weight of 331.31 g/mol. Its IUPAC name is N-[3-(2,5-dioxoimidazolidin-1-yl)-4-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2,5-dioxoimidazolidin-1-yl)-4-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID100633471
Molecular FormulaC15H14FN5O3
Molecular Weight331.31 g/mol
Exact Mass331.11
IUPAC NameN-[3-(2,5-dioxoimidazolidin-1-yl)-4-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)c(N3C(=O)CNC3=O)c2)n(C)n1
InChIInChI=1S/C15H14FN5O3/c1-8-5-12(20(2)19-8)14(23)18-9-3-4-10(16)11(6-9)21-13(22)7-17-15(21)24/h3-6H,7H2,1-2H3,(H,17,24)(H,18,23)
InChIKeySHAVMKMYQNIHAK-UHFFFAOYSA-N
XLogP1.18
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

4-[(2,5-dimethylpyrazole-3-carbonyl)amino]-2-fluorobenzoic acid
CID 103791549
N-(3,4-dimethylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685886
4-[(2,5-dimethylpyrazole-3-carbonyl)amino]-2-fluorobenzenesulfonyl chloride
CID 66128821
N-(6-fluoro-3-pyridinyl)-2,5-dimethylpyrazole-3-carboxamide
CID 103789986
N-[4-(difluoromethoxy)-3-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87026065
2,5-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrazole-3-carboxamide
CID 61069082
N-(4-tert-butylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685894
N-[4-(cyclopropylcarbamoyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87024230
3-N,5-N-bis(3,4-difluorophenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097127
N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87025581
4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride
CID 66128613
N-[4-(bromomethyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 114310907

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-dioxoimidazolidin-1-yl)-4-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[3-(2,5-dioxoimidazolidin-1-yl)-4-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide (CID 100633471) is N-[3-(2,5-dioxoimidazolidin-1-yl)-4-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(2,5-dioxoimidazolidin-1-yl)-4-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-(2,5-dioxoimidazolidin-1-yl)-4-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(F)c(N3C(=O)CNC3=O)c2)n(C)n1.
What is the InChIKey of N-[3-(2,5-dioxoimidazolidin-1-yl)-4-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is SHAVMKMYQNIHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O3/c1-8-5-12(20(2)19-8)14(23)18-9-3-4-10(16)11(6-9)21-13(22)7-17-15(21)24/h3-6H,7H2,1-2H3,(H,17,24)(H,18,23).
What are the key properties of N-[3-(2,5-dioxoimidazolidin-1-yl)-4-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[3-(2,5-dioxoimidazolidin-1-yl)-4-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 331.31 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dioxoimidazolidin-1-yl)-4-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 100633471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).