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3-tert-butyl-N-(5-carbamoyl-2-chlorophenyl)-1-methylpyrazole-5-carboxamide

C16H19ClN4O2 — CID 23732837

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-tert-butyl-N-(5-carbamoyl-2-chlorophenyl)-1-methylpyrazole-5-carboxamide
SMILESCn1nc(C(C)(C)C)cc1C(=O)Nc1cc(C(N)=O)ccc1Cl
InChIInChI=1S/C16H19ClN4O2/c1-16(2,3)13-8-12(21(4)20-13)15(23)19-11-7-9(14(18)22)5-6-10(11)17/h5-8H,1-4H3,(H2,18,22)(H,19,23)
InChIKeyTTZJAXQQCLPZTP-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.72
Rot. Bonds3

About 3-tert-butyl-N-(5-carbamoyl-2-chlorophenyl)-1-methylpyrazole-5-carboxamide

3-tert-butyl-N-(5-carbamoyl-2-chlorophenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 23732837) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 3-tert-butyl-N-(5-carbamoyl-2-chlorophenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-(5-carbamoyl-2-chlorophenyl)-1-methylpyrazole-5-carboxamide
PubChem CID23732837
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name3-tert-butyl-N-(5-carbamoyl-2-chlorophenyl)-1-methylpyrazole-5-carboxamide
SMILESCn1nc(C(C)(C)C)cc1C(=O)Nc1cc(C(N)=O)ccc1Cl
InChIInChI=1S/C16H19ClN4O2/c1-16(2,3)13-8-12(21(4)20-13)15(23)19-11-7-9(14(18)22)5-6-10(11)17/h5-8H,1-4H3,(H2,18,22)(H,19,23)
InChIKeyTTZJAXQQCLPZTP-UHFFFAOYSA-N
XLogP2.72
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(5-carbamoyl-2-chlorophenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-tert-butyl-N-(5-carbamoyl-2-chlorophenyl)-1-methylpyrazole-5-carboxamide (CID 23732837) is 3-tert-butyl-N-(5-carbamoyl-2-chlorophenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-(5-carbamoyl-2-chlorophenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-tert-butyl-N-(5-carbamoyl-2-chlorophenyl)-1-methylpyrazole-5-carboxamide is Cn1nc(C(C)(C)C)cc1C(=O)Nc1cc(C(N)=O)ccc1Cl.
What is the InChIKey of 3-tert-butyl-N-(5-carbamoyl-2-chlorophenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is TTZJAXQQCLPZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-16(2,3)13-8-12(21(4)20-13)15(23)19-11-7-9(14(18)22)5-6-10(11)17/h5-8H,1-4H3,(H2,18,22)(H,19,23).
What are the key properties of 3-tert-butyl-N-(5-carbamoyl-2-chlorophenyl)-1-methylpyrazole-5-carboxamide?
3-tert-butyl-N-(5-carbamoyl-2-chlorophenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 334.81 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(5-carbamoyl-2-chlorophenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 23732837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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