trans-(1R,2R)-2-(2-chlorophenyl)-N-(4-cyano-3-methoxy-1H-pyrazol-5-yl)cyclopropane-1-carboxamide

C15H13ClN4O2 — CID 126825199

IUPACtrans-(1R,2R)-2-(2-chlorophenyl)-N-(4-cyano-3-methoxy-1H-pyrazol-5-yl)cyclopropane-1-carboxamide
SMILESCOc1n[nH]c(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c1C#N
InChIInChI=1S/C15H13ClN4O2/c1-22-15-11(7-17)13(19-20-15)18-14(21)10-6-9(10)8-4-2-3-5-12(8)16/h2-5,9-10H,6H2,1H3,(H2,18,19,20,21)/t9-,10+/m0/s1
InChIKeyMYAZDMZOAWYATB-VHSXEESVSA-N
MW316.75 g/mol
LogP2.69
Rot. Bonds4

About trans-(1R,2R)-2-(2-chlorophenyl)-N-(4-cyano-3-methoxy-1H-pyrazol-5-yl)cyclopropane-1-carboxamide

trans-(1R,2R)-2-(2-chlorophenyl)-N-(4-cyano-3-methoxy-1H-pyrazol-5-yl)cyclopropane-1-carboxamide (PubChem CID 126825199) has the molecular formula C15H13ClN4O2 and a molecular weight of 316.75 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2-chlorophenyl)-N-(4-cyano-3-methoxy-1H-pyrazol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2-chlorophenyl)-N-(4-cyano-3-methoxy-1H-pyrazol-5-yl)cyclopropane-1-carboxamide
PubChem CID126825199
Molecular FormulaC15H13ClN4O2
Molecular Weight316.75 g/mol
Exact Mass316.07
IUPAC Nametrans-(1R,2R)-2-(2-chlorophenyl)-N-(4-cyano-3-methoxy-1H-pyrazol-5-yl)cyclopropane-1-carboxamide
SMILESCOc1n[nH]c(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c1C#N
InChIInChI=1S/C15H13ClN4O2/c1-22-15-11(7-17)13(19-20-15)18-14(21)10-6-9(10)8-4-2-3-5-12(8)16/h2-5,9-10H,6H2,1H3,(H2,18,19,20,21)/t9-,10+/m0/s1
InChIKeyMYAZDMZOAWYATB-VHSXEESVSA-N
XLogP2.69
TPSA90.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2-chlorophenyl)-N-(4-cyano-3-methoxy-1H-pyrazol-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(2-chlorophenyl)-N-(4-cyano-3-methoxy-1H-pyrazol-5-yl)cyclopropane-1-carboxamide (CID 126825199) is trans-(1R,2R)-2-(2-chlorophenyl)-N-(4-cyano-3-methoxy-1H-pyrazol-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(2-chlorophenyl)-N-(4-cyano-3-methoxy-1H-pyrazol-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(2-chlorophenyl)-N-(4-cyano-3-methoxy-1H-pyrazol-5-yl)cyclopropane-1-carboxamide is COc1n[nH]c(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c1C#N.
What is the InChIKey of trans-(1R,2R)-2-(2-chlorophenyl)-N-(4-cyano-3-methoxy-1H-pyrazol-5-yl)cyclopropane-1-carboxamide?
The InChIKey is MYAZDMZOAWYATB-VHSXEESVSA-N. The full InChI is InChI=1S/C15H13ClN4O2/c1-22-15-11(7-17)13(19-20-15)18-14(21)10-6-9(10)8-4-2-3-5-12(8)16/h2-5,9-10H,6H2,1H3,(H2,18,19,20,21)/t9-,10+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(2-chlorophenyl)-N-(4-cyano-3-methoxy-1H-pyrazol-5-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(2-chlorophenyl)-N-(4-cyano-3-methoxy-1H-pyrazol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 316.75 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2-chlorophenyl)-N-(4-cyano-3-methoxy-1H-pyrazol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 126825199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).