2-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide

C17H20ClN3O — CID 19468969

IUPAC2-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
SMILESCc1c(C(C)NC(=O)C2CC2c2ccc(Cl)cc2)cnn1C
InChIInChI=1S/C17H20ClN3O/c1-10(16-9-19-21(3)11(16)2)20-17(22)15-8-14(15)12-4-6-13(18)7-5-12/h4-7,9-10,14-15H,8H2,1-3H3,(H,20,22)
InChIKeyWORWRAURSRZCRH-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.36
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide

2-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 19468969) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID19468969
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name2-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
SMILESCc1c(C(C)NC(=O)C2CC2c2ccc(Cl)cc2)cnn1C
InChIInChI=1S/C17H20ClN3O/c1-10(16-9-19-21(3)11(16)2)20-17(22)15-8-14(15)12-4-6-13(18)7-5-12/h4-7,9-10,14-15H,8H2,1-3H3,(H,20,22)
InChIKeyWORWRAURSRZCRH-UHFFFAOYSA-N
XLogP3.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide (CID 19468969) is 2-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide is Cc1c(C(C)NC(=O)C2CC2c2ccc(Cl)cc2)cnn1C.
What is the InChIKey of 2-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is WORWRAURSRZCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-10(16-9-19-21(3)11(16)2)20-17(22)15-8-14(15)12-4-6-13(18)7-5-12/h4-7,9-10,14-15H,8H2,1-3H3,(H,20,22).
What are the key properties of 2-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide?
2-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 317.82 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 19468969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).