N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-1-methyl-3-propylpyrazole-5-carboxamide

C20H27N3O — CID 70719530

IUPACN-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-1-methyl-3-propylpyrazole-5-carboxamide
SMILESCCCc1cc(C(=O)NCC2(c3ccccc3)CC2(C)C)n(C)n1
InChIInChI=1S/C20H27N3O/c1-5-9-16-12-17(23(4)22-16)18(24)21-14-20(13-19(20,2)3)15-10-7-6-8-11-15/h6-8,10-12H,5,9,13-14H2,1-4H3,(H,21,24)
InChIKeyZLLFZQCTONANHL-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.47
Rot. Bonds6

About N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-1-methyl-3-propylpyrazole-5-carboxamide

N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-1-methyl-3-propylpyrazole-5-carboxamide (PubChem CID 70719530) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-1-methyl-3-propylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-1-methyl-3-propylpyrazole-5-carboxamide
PubChem CID70719530
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-1-methyl-3-propylpyrazole-5-carboxamide
SMILESCCCc1cc(C(=O)NCC2(c3ccccc3)CC2(C)C)n(C)n1
InChIInChI=1S/C20H27N3O/c1-5-9-16-12-17(23(4)22-16)18(24)21-14-20(13-19(20,2)3)15-10-7-6-8-11-15/h6-8,10-12H,5,9,13-14H2,1-4H3,(H,21,24)
InChIKeyZLLFZQCTONANHL-UHFFFAOYSA-N
XLogP3.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-1-methyl-3-propylpyrazole-5-carboxamide?
The IUPAC name of N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-1-methyl-3-propylpyrazole-5-carboxamide (CID 70719530) is N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-1-methyl-3-propylpyrazole-5-carboxamide.
What is the SMILES notation for N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-1-methyl-3-propylpyrazole-5-carboxamide?
The canonical SMILES for N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-1-methyl-3-propylpyrazole-5-carboxamide is CCCc1cc(C(=O)NCC2(c3ccccc3)CC2(C)C)n(C)n1.
What is the InChIKey of N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-1-methyl-3-propylpyrazole-5-carboxamide?
The InChIKey is ZLLFZQCTONANHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-5-9-16-12-17(23(4)22-16)18(24)21-14-20(13-19(20,2)3)15-10-7-6-8-11-15/h6-8,10-12H,5,9,13-14H2,1-4H3,(H,21,24).
What are the key properties of N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-1-methyl-3-propylpyrazole-5-carboxamide?
N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-1-methyl-3-propylpyrazole-5-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-1-methyl-3-propylpyrazole-5-carboxamide is sourced from PubChem (CID 70719530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).