4-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

C10H8FN3O — CID 66611963

IUPAC4-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1[nH]ncc1-c1ccc(F)cc1
InChIInChI=1S/C10H8FN3O/c11-7-3-1-6(2-4-7)8-5-13-14-9(8)10(12)15/h1-5H,(H2,12,15)(H,13,14)
InChIKeyMXAVDBUGLFEBHY-UHFFFAOYSA-N
MW205.19 g/mol
LogP1.31
Rot. Bonds2

About 4-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

4-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 66611963) has the molecular formula C10H8FN3O and a molecular weight of 205.19 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID66611963
Molecular FormulaC10H8FN3O
Molecular Weight205.19 g/mol
Exact Mass205.07
IUPAC Name4-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1[nH]ncc1-c1ccc(F)cc1
InChIInChI=1S/C10H8FN3O/c11-7-3-1-6(2-4-7)8-5-13-14-9(8)10(12)15/h1-5H,(H2,12,15)(H,13,14)
InChIKeyMXAVDBUGLFEBHY-UHFFFAOYSA-N
XLogP1.31
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 66611963) is 4-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is NC(=O)c1[nH]ncc1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is MXAVDBUGLFEBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O/c11-7-3-1-6(2-4-7)8-5-13-14-9(8)10(12)15/h1-5H,(H2,12,15)(H,13,14).
What are the key properties of 4-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
4-(4-fluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 205.19 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 66611963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).