N-(2,5-dimethylpyrazol-3-yl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide

C15H18FN5O2 — CID 60573872

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
SMILESCc1cc(NC(=O)CNC(=O)NCc2ccc(F)cc2)n(C)n1
InChIInChI=1S/C15H18FN5O2/c1-10-7-13(21(2)20-10)19-14(22)9-18-15(23)17-8-11-3-5-12(16)6-4-11/h3-7H,8-9H2,1-2H3,(H,19,22)(H2,17,18,23)
InChIKeySEMOJSZADPKBGM-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.31
Rot. Bonds5

About N-(2,5-dimethylpyrazol-3-yl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide

N-(2,5-dimethylpyrazol-3-yl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide (PubChem CID 60573872) has the molecular formula C15H18FN5O2 and a molecular weight of 319.34 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
PubChem CID60573872
Molecular FormulaC15H18FN5O2
Molecular Weight319.34 g/mol
Exact Mass319.14
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
SMILESCc1cc(NC(=O)CNC(=O)NCc2ccc(F)cc2)n(C)n1
InChIInChI=1S/C15H18FN5O2/c1-10-7-13(21(2)20-10)19-14(22)9-18-15(23)17-8-11-3-5-12(16)6-4-11/h3-7H,8-9H2,1-2H3,(H,19,22)(H2,17,18,23)
InChIKeySEMOJSZADPKBGM-UHFFFAOYSA-N
XLogP1.31
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 24605652
N-[2,6-di(propan-2-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 49381870
N-(2,5-dimethylpyrazol-3-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 47182216
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 86979097
N-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-2-oxo-1-pyridinyl)acetamide
CID 99831506
methyl (2R)-2-[[(2,5-dimethylpyrazol-3-yl)carbamoylamino]methyl]-3-(4-fluorophenyl)propanoate
CID 95047907
2-[4-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]phenyl]-N-methylacetamide
CID 86923315
N-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)acetamide
CID 60703413
1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 38949085
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 24605074
N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 24604792
N-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-2-pyrazol-1-ylanilino)acetamide
CID 71858055

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide (CID 60573872) is N-(2,5-dimethylpyrazol-3-yl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide is Cc1cc(NC(=O)CNC(=O)NCc2ccc(F)cc2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide?
The InChIKey is SEMOJSZADPKBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O2/c1-10-7-13(21(2)20-10)19-14(22)9-18-15(23)17-8-11-3-5-12(16)6-4-11/h3-7H,8-9H2,1-2H3,(H,19,22)(H2,17,18,23).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide?
N-(2,5-dimethylpyrazol-3-yl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide has a molecular weight of 319.34 g/mol, XLogP of 1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide is sourced from PubChem (CID 60573872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).