3-fluoro-4-methyl-N-(1H-pyrazol-5-yl)benzamide

C11H10FN3O — CID 60580066

IUPAC3-fluoro-4-methyl-N-(1H-pyrazol-5-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ccn[nH]2)cc1F
InChIInChI=1S/C11H10FN3O/c1-7-2-3-8(6-9(7)12)11(16)14-10-4-5-13-15-10/h2-6H,1H3,(H2,13,14,15,16)
InChIKeyMEBIRKPZUPMEQH-UHFFFAOYSA-N
MW219.22 g/mol
LogP2.11
Rot. Bonds2

About 3-fluoro-4-methyl-N-(1H-pyrazol-5-yl)benzamide

3-fluoro-4-methyl-N-(1H-pyrazol-5-yl)benzamide (PubChem CID 60580066) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-(1H-pyrazol-5-yl)benzamide
PubChem CID60580066
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name3-fluoro-4-methyl-N-(1H-pyrazol-5-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ccn[nH]2)cc1F
InChIInChI=1S/C11H10FN3O/c1-7-2-3-8(6-9(7)12)11(16)14-10-4-5-13-15-10/h2-6H,1H3,(H2,13,14,15,16)
InChIKeyMEBIRKPZUPMEQH-UHFFFAOYSA-N
XLogP2.11
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Benzamide, N-(5-methyl-1H-pyrazol-3-yl)-
CID 4247366
N1-(3-phenyl-1H-pyrazol-5-yl)-2-fluorobenzamide
CID 339733
4-methyl-N-(1-methyl-1H-pyrazol-3-yl)benzamide
CID 4865337
4-(1H-pyrazol-3-ylamino)-2-p-tolylphthalazin-1(2H)-one
CID 11500669
NEP inhibitor, 6q
CID 57340117
4-fluoro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]benzamide
CID 846007
N-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-methylbenzamide
CID 846018
N-(1-benzyl-1H-pyrazol-3-yl)-3-fluorobenzamide
CID 1509639
3-methyl-N-(1-methyl-1H-pyrazol-3-yl)benzamide
CID 4776640
N-(1-benzyl-1H-pyrazol-3-yl)-4-fluorobenzamide
CID 1509180
N-{1-[1-(4-ethylbenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-3-fluorobenzamide
CID 24791290
4-N-tert-butyl-1-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzene-1,4-dicarboxamide
CID 51094234

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of 3-fluoro-4-methyl-N-(1H-pyrazol-5-yl)benzamide (CID 60580066) is 3-fluoro-4-methyl-N-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-(1H-pyrazol-5-yl)benzamide is Cc1ccc(C(=O)Nc2ccn[nH]2)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-(1H-pyrazol-5-yl)benzamide?
The InChIKey is MEBIRKPZUPMEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-7-2-3-8(6-9(7)12)11(16)14-10-4-5-13-15-10/h2-6H,1H3,(H2,13,14,15,16).
What are the key properties of 3-fluoro-4-methyl-N-(1H-pyrazol-5-yl)benzamide?
3-fluoro-4-methyl-N-(1H-pyrazol-5-yl)benzamide has a molecular weight of 219.22 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 60580066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).