N-benzyl-5-(4-tert-butylphenyl)-1-ethyl-N-methylpyrazole-3-carboxamide

C24H29N3O — CID 42879111

IUPACN-benzyl-5-(4-tert-butylphenyl)-1-ethyl-N-methylpyrazole-3-carboxamide
SMILESCCn1nc(C(=O)N(C)Cc2ccccc2)cc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H29N3O/c1-6-27-22(19-12-14-20(15-13-19)24(2,3)4)16-21(25-27)23(28)26(5)17-18-10-8-7-9-11-18/h7-16H,6,17H2,1-5H3
InChIKeyNJRVRCRSCRMEBD-UHFFFAOYSA-N
MW375.52 g/mol
LogP5.14
Rot. Bonds5

About N-benzyl-5-(4-tert-butylphenyl)-1-ethyl-N-methylpyrazole-3-carboxamide

N-benzyl-5-(4-tert-butylphenyl)-1-ethyl-N-methylpyrazole-3-carboxamide (PubChem CID 42879111) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is N-benzyl-5-(4-tert-butylphenyl)-1-ethyl-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(4-tert-butylphenyl)-1-ethyl-N-methylpyrazole-3-carboxamide
PubChem CID42879111
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC NameN-benzyl-5-(4-tert-butylphenyl)-1-ethyl-N-methylpyrazole-3-carboxamide
SMILESCCn1nc(C(=O)N(C)Cc2ccccc2)cc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H29N3O/c1-6-27-22(19-12-14-20(15-13-19)24(2,3)4)16-21(25-27)23(28)26(5)17-18-10-8-7-9-11-18/h7-16H,6,17H2,1-5H3
InChIKeyNJRVRCRSCRMEBD-UHFFFAOYSA-N
XLogP5.14
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(4-tert-butylphenyl)-1-ethyl-N-methylpyrazole-3-carboxamide?
The IUPAC name of N-benzyl-5-(4-tert-butylphenyl)-1-ethyl-N-methylpyrazole-3-carboxamide (CID 42879111) is N-benzyl-5-(4-tert-butylphenyl)-1-ethyl-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-benzyl-5-(4-tert-butylphenyl)-1-ethyl-N-methylpyrazole-3-carboxamide?
The canonical SMILES for N-benzyl-5-(4-tert-butylphenyl)-1-ethyl-N-methylpyrazole-3-carboxamide is CCn1nc(C(=O)N(C)Cc2ccccc2)cc1-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-benzyl-5-(4-tert-butylphenyl)-1-ethyl-N-methylpyrazole-3-carboxamide?
The InChIKey is NJRVRCRSCRMEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-6-27-22(19-12-14-20(15-13-19)24(2,3)4)16-21(25-27)23(28)26(5)17-18-10-8-7-9-11-18/h7-16H,6,17H2,1-5H3.
What are the key properties of N-benzyl-5-(4-tert-butylphenyl)-1-ethyl-N-methylpyrazole-3-carboxamide?
N-benzyl-5-(4-tert-butylphenyl)-1-ethyl-N-methylpyrazole-3-carboxamide has a molecular weight of 375.52 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(4-tert-butylphenyl)-1-ethyl-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 42879111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).