3,4-dichloro-N-[5-methyl-3-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]benzamide

C16H13Cl2N3O2 — CID 42874266

IUPAC3,4-dichloro-N-[5-methyl-3-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]benzamide
SMILESCc1ccc(-c2n[nH]c(C)c2NC(=O)c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C16H13Cl2N3O2/c1-8-3-6-13(23-8)15-14(9(2)20-21-15)19-16(22)10-4-5-11(17)12(18)7-10/h3-7H,1-2H3,(H,19,22)(H,20,21)
InChIKeyAHFOLHNZUPOWKY-UHFFFAOYSA-N
MW350.21 g/mol
LogP4.85
Rot. Bonds3

About 3,4-dichloro-N-[5-methyl-3-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]benzamide

3,4-dichloro-N-[5-methyl-3-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]benzamide (PubChem CID 42874266) has the molecular formula C16H13Cl2N3O2 and a molecular weight of 350.21 g/mol. Its IUPAC name is 3,4-dichloro-N-[5-methyl-3-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[5-methyl-3-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]benzamide
PubChem CID42874266
Molecular FormulaC16H13Cl2N3O2
Molecular Weight350.21 g/mol
Exact Mass349.04
IUPAC Name3,4-dichloro-N-[5-methyl-3-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]benzamide
SMILESCc1ccc(-c2n[nH]c(C)c2NC(=O)c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C16H13Cl2N3O2/c1-8-3-6-13(23-8)15-14(9(2)20-21-15)19-16(22)10-4-5-11(17)12(18)7-10/h3-7H,1-2H3,(H,19,22)(H,20,21)
InChIKeyAHFOLHNZUPOWKY-UHFFFAOYSA-N
XLogP4.85
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
CID 43399198
N-[3-(4-tert-butylphenyl)-5-methyl-1H-pyrazol-4-yl]-3,4-dichlorobenzamide
CID 42686632
2,6-dimethoxy-N-[5-methyl-3-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]benzamide
CID 42874269
3,4-dichloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731633
N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzamide
CID 14183157
N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-3,4-dimethoxybenzamide
CID 42685772
3,5-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methoxybenzamide
CID 43546454
4-chloro-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 9094660
(3,4-dichlorophenyl)-(5-methylfuran-2-yl)methanone
CID 43463771
N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-benzodioxole-5-carboxamide
CID 43399101
N-(3,5-dimethyl-1H-pyrazol-4-yl)naphthalene-2-carboxamide
CID 43399081
3,6-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 43547698

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[5-methyl-3-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]benzamide?
The IUPAC name of 3,4-dichloro-N-[5-methyl-3-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]benzamide (CID 42874266) is 3,4-dichloro-N-[5-methyl-3-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[5-methyl-3-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[5-methyl-3-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]benzamide is Cc1ccc(-c2n[nH]c(C)c2NC(=O)c2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of 3,4-dichloro-N-[5-methyl-3-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]benzamide?
The InChIKey is AHFOLHNZUPOWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O2/c1-8-3-6-13(23-8)15-14(9(2)20-21-15)19-16(22)10-4-5-11(17)12(18)7-10/h3-7H,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 3,4-dichloro-N-[5-methyl-3-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]benzamide?
3,4-dichloro-N-[5-methyl-3-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]benzamide has a molecular weight of 350.21 g/mol, XLogP of 4.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[5-methyl-3-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]benzamide is sourced from PubChem (CID 42874266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).