N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide

C17H20ClN3O — CID 55976564

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2CC2c2ccccc2Cl)n[nH]1
InChIInChI=1S/C17H20ClN3O/c1-17(2,3)14-9-15(21-20-14)19-16(22)12-8-11(12)10-6-4-5-7-13(10)18/h4-7,9,11-12H,8H2,1-3H3,(H2,19,20,21,22)
InChIKeyDKXBFHUHUVSOIG-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.10
Rot. Bonds3

About N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide (PubChem CID 55976564) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
PubChem CID55976564
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2CC2c2ccccc2Cl)n[nH]1
InChIInChI=1S/C17H20ClN3O/c1-17(2,3)14-9-15(21-20-14)19-16(22)12-8-11(12)10-6-4-5-7-13(10)18/h4-7,9,11-12H,8H2,1-3H3,(H2,19,20,21,22)
InChIKeyDKXBFHUHUVSOIG-UHFFFAOYSA-N
XLogP4.10
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide (CID 55976564) is N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide is CC(C)(C)c1cc(NC(=O)C2CC2c2ccccc2Cl)n[nH]1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is DKXBFHUHUVSOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-17(2,3)14-9-15(21-20-14)19-16(22)12-8-11(12)10-6-4-5-7-13(10)18/h4-7,9,11-12H,8H2,1-3H3,(H2,19,20,21,22).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 317.82 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 55976564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).