4-[(3-fluorophenyl)carbamoylamino]-N,N,1,5-tetramethylpyrazole-3-carboxamide

C15H18FN5O2 — CID 75538640

IUPAC4-[(3-fluorophenyl)carbamoylamino]-N,N,1,5-tetramethylpyrazole-3-carboxamide
SMILESCc1c(NC(=O)Nc2cccc(F)c2)c(C(=O)N(C)C)nn1C
InChIInChI=1S/C15H18FN5O2/c1-9-12(13(19-21(9)4)14(22)20(2)3)18-15(23)17-11-7-5-6-10(16)8-11/h5-8H,1-4H3,(H2,17,18,23)
InChIKeySYVAIFCTQAXGHE-UHFFFAOYSA-N
MW319.34 g/mol
LogP2.21
Rot. Bonds3

About 4-[(3-fluorophenyl)carbamoylamino]-N,N,1,5-tetramethylpyrazole-3-carboxamide

4-[(3-fluorophenyl)carbamoylamino]-N,N,1,5-tetramethylpyrazole-3-carboxamide (PubChem CID 75538640) has the molecular formula C15H18FN5O2 and a molecular weight of 319.34 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)carbamoylamino]-N,N,1,5-tetramethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[(3-fluorophenyl)carbamoylamino]-N,N,1,5-tetramethylpyrazole-3-carboxamide
PubChem CID75538640
Molecular FormulaC15H18FN5O2
Molecular Weight319.34 g/mol
Exact Mass319.14
IUPAC Name4-[(3-fluorophenyl)carbamoylamino]-N,N,1,5-tetramethylpyrazole-3-carboxamide
SMILESCc1c(NC(=O)Nc2cccc(F)c2)c(C(=O)N(C)C)nn1C
InChIInChI=1S/C15H18FN5O2/c1-9-12(13(19-21(9)4)14(22)20(2)3)18-15(23)17-11-7-5-6-10(16)8-11/h5-8H,1-4H3,(H2,17,18,23)
InChIKeySYVAIFCTQAXGHE-UHFFFAOYSA-N
XLogP2.21
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)carbamoylamino]-N,N,1,5-tetramethylpyrazole-3-carboxamide?
The IUPAC name of 4-[(3-fluorophenyl)carbamoylamino]-N,N,1,5-tetramethylpyrazole-3-carboxamide (CID 75538640) is 4-[(3-fluorophenyl)carbamoylamino]-N,N,1,5-tetramethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[(3-fluorophenyl)carbamoylamino]-N,N,1,5-tetramethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[(3-fluorophenyl)carbamoylamino]-N,N,1,5-tetramethylpyrazole-3-carboxamide is Cc1c(NC(=O)Nc2cccc(F)c2)c(C(=O)N(C)C)nn1C.
What is the InChIKey of 4-[(3-fluorophenyl)carbamoylamino]-N,N,1,5-tetramethylpyrazole-3-carboxamide?
The InChIKey is SYVAIFCTQAXGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O2/c1-9-12(13(19-21(9)4)14(22)20(2)3)18-15(23)17-11-7-5-6-10(16)8-11/h5-8H,1-4H3,(H2,17,18,23).
What are the key properties of 4-[(3-fluorophenyl)carbamoylamino]-N,N,1,5-tetramethylpyrazole-3-carboxamide?
4-[(3-fluorophenyl)carbamoylamino]-N,N,1,5-tetramethylpyrazole-3-carboxamide has a molecular weight of 319.34 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)carbamoylamino]-N,N,1,5-tetramethylpyrazole-3-carboxamide is sourced from PubChem (CID 75538640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).