N-(4-tert-butylphenyl)-4-chloro-1-methyl-3-propylpyrazole-5-carboxamide

C18H24ClN3O — CID 1235357

IUPACN-(4-tert-butylphenyl)-4-chloro-1-methyl-3-propylpyrazole-5-carboxamide
SMILESCCCc1nn(C)c(C(=O)Nc2ccc(C(C)(C)C)cc2)c1Cl
InChIInChI=1S/C18H24ClN3O/c1-6-7-14-15(19)16(22(5)21-14)17(23)20-13-10-8-12(9-11-13)18(2,3)4/h8-11H,6-7H2,1-5H3,(H,20,23)
InChIKeyTYGAKDNIFDQMST-UHFFFAOYSA-N
MW333.86 g/mol
LogP4.58
Rot. Bonds4

About N-(4-tert-butylphenyl)-4-chloro-1-methyl-3-propylpyrazole-5-carboxamide

N-(4-tert-butylphenyl)-4-chloro-1-methyl-3-propylpyrazole-5-carboxamide (PubChem CID 1235357) has the molecular formula C18H24ClN3O and a molecular weight of 333.86 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-chloro-1-methyl-3-propylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-chloro-1-methyl-3-propylpyrazole-5-carboxamide
PubChem CID1235357
Molecular FormulaC18H24ClN3O
Molecular Weight333.86 g/mol
Exact Mass333.16
IUPAC NameN-(4-tert-butylphenyl)-4-chloro-1-methyl-3-propylpyrazole-5-carboxamide
SMILESCCCc1nn(C)c(C(=O)Nc2ccc(C(C)(C)C)cc2)c1Cl
InChIInChI=1S/C18H24ClN3O/c1-6-7-14-15(19)16(22(5)21-14)17(23)20-13-10-8-12(9-11-13)18(2,3)4/h8-11H,6-7H2,1-5H3,(H,20,23)
InChIKeyTYGAKDNIFDQMST-UHFFFAOYSA-N
XLogP4.58
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-chloro-1-methyl-3-propylpyrazole-5-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-4-chloro-1-methyl-3-propylpyrazole-5-carboxamide (CID 1235357) is N-(4-tert-butylphenyl)-4-chloro-1-methyl-3-propylpyrazole-5-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-chloro-1-methyl-3-propylpyrazole-5-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-4-chloro-1-methyl-3-propylpyrazole-5-carboxamide is CCCc1nn(C)c(C(=O)Nc2ccc(C(C)(C)C)cc2)c1Cl.
What is the InChIKey of N-(4-tert-butylphenyl)-4-chloro-1-methyl-3-propylpyrazole-5-carboxamide?
The InChIKey is TYGAKDNIFDQMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O/c1-6-7-14-15(19)16(22(5)21-14)17(23)20-13-10-8-12(9-11-13)18(2,3)4/h8-11H,6-7H2,1-5H3,(H,20,23).
What are the key properties of N-(4-tert-butylphenyl)-4-chloro-1-methyl-3-propylpyrazole-5-carboxamide?
N-(4-tert-butylphenyl)-4-chloro-1-methyl-3-propylpyrazole-5-carboxamide has a molecular weight of 333.86 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-chloro-1-methyl-3-propylpyrazole-5-carboxamide is sourced from PubChem (CID 1235357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).