1-(4-chlorophenyl)-N-[(3,3-difluorocyclobutyl)methyl]-5-methylpyrazole-3-carboxamide

C16H16ClF2N3O — CID 167906921

IUPAC1-(4-chlorophenyl)-N-[(3,3-difluorocyclobutyl)methyl]-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CC(F)(F)C2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClF2N3O/c1-10-6-14(15(23)20-9-11-7-16(18,19)8-11)21-22(10)13-4-2-12(17)3-5-13/h2-6,11H,7-9H2,1H3,(H,20,23)
InChIKeyYMMWBWOSUJMMLF-UHFFFAOYSA-N
MW339.77 g/mol
LogP3.61
Rot. Bonds4

About 1-(4-chlorophenyl)-N-[(3,3-difluorocyclobutyl)methyl]-5-methylpyrazole-3-carboxamide

1-(4-chlorophenyl)-N-[(3,3-difluorocyclobutyl)methyl]-5-methylpyrazole-3-carboxamide (PubChem CID 167906921) has the molecular formula C16H16ClF2N3O and a molecular weight of 339.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(3,3-difluorocyclobutyl)methyl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(3,3-difluorocyclobutyl)methyl]-5-methylpyrazole-3-carboxamide
PubChem CID167906921
Molecular FormulaC16H16ClF2N3O
Molecular Weight339.77 g/mol
Exact Mass339.09
IUPAC Name1-(4-chlorophenyl)-N-[(3,3-difluorocyclobutyl)methyl]-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CC(F)(F)C2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClF2N3O/c1-10-6-14(15(23)20-9-11-7-16(18,19)8-11)21-22(10)13-4-2-12(17)3-5-13/h2-6,11H,7-9H2,1H3,(H,20,23)
InChIKeyYMMWBWOSUJMMLF-UHFFFAOYSA-N
XLogP3.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.77
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(3,3-difluorocyclobutyl)methyl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(3,3-difluorocyclobutyl)methyl]-5-methylpyrazole-3-carboxamide (CID 167906921) is 1-(4-chlorophenyl)-N-[(3,3-difluorocyclobutyl)methyl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(3,3-difluorocyclobutyl)methyl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(3,3-difluorocyclobutyl)methyl]-5-methylpyrazole-3-carboxamide is Cc1cc(C(=O)NCC2CC(F)(F)C2)nn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(3,3-difluorocyclobutyl)methyl]-5-methylpyrazole-3-carboxamide?
The InChIKey is YMMWBWOSUJMMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2N3O/c1-10-6-14(15(23)20-9-11-7-16(18,19)8-11)21-22(10)13-4-2-12(17)3-5-13/h2-6,11H,7-9H2,1H3,(H,20,23).
What are the key properties of 1-(4-chlorophenyl)-N-[(3,3-difluorocyclobutyl)methyl]-5-methylpyrazole-3-carboxamide?
1-(4-chlorophenyl)-N-[(3,3-difluorocyclobutyl)methyl]-5-methylpyrazole-3-carboxamide has a molecular weight of 339.77 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(3,3-difluorocyclobutyl)methyl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 167906921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).