cis-(1S,2R)-2-(4-chlorophenyl)-N-pyrazin-2-ylcyclopropane-1-carboxamide

C14H12ClN3O — CID 40650433

IUPACcis-(1S,2R)-2-(4-chlorophenyl)-N-pyrazin-2-ylcyclopropane-1-carboxamide
SMILESO=C(Nc1cnccn1)[C@H]1C[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN3O/c15-10-3-1-9(2-4-10)11-7-12(11)14(19)18-13-8-16-5-6-17-13/h1-6,8,11-12H,7H2,(H,17,18,19)/t11-,12-/m0/s1
InChIKeyQSJGTAHDHODKPS-RYUDHWBXSA-N
MW273.72 g/mol
LogP2.87
Rot. Bonds3

About cis-(1S,2R)-2-(4-chlorophenyl)-N-pyrazin-2-ylcyclopropane-1-carboxamide

cis-(1S,2R)-2-(4-chlorophenyl)-N-pyrazin-2-ylcyclopropane-1-carboxamide (PubChem CID 40650433) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is cis-(1S,2R)-2-(4-chlorophenyl)-N-pyrazin-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-(4-chlorophenyl)-N-pyrazin-2-ylcyclopropane-1-carboxamide
PubChem CID40650433
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Namecis-(1S,2R)-2-(4-chlorophenyl)-N-pyrazin-2-ylcyclopropane-1-carboxamide
SMILESO=C(Nc1cnccn1)[C@H]1C[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN3O/c15-10-3-1-9(2-4-10)11-7-12(11)14(19)18-13-8-16-5-6-17-13/h1-6,8,11-12H,7H2,(H,17,18,19)/t11-,12-/m0/s1
InChIKeyQSJGTAHDHODKPS-RYUDHWBXSA-N
XLogP2.87
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenyl)-N-pyrazin-2-ylcyclopropane-1-carboxamide
CID 86794514
N-(4-chloro-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide
CID 115627268
2-(4-chlorophenyl)-N-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 19405064
cis-(1S,2R)-2-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 95760685
(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 70153903
trans-(1R,2R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 6993920
cis-(1S,2R)-2-(4-chlorophenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 96501804
2-(4-chlorophenyl)-N-(1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxamide
CID 71847605
cis-(1S,2R)-2-(4-chlorophenyl)-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
CID 843555
trans-(1R,2R)-2-(4-chlorophenyl)-N-(1-ethyl-6-oxopyrimidin-5-yl)cyclopropane-1-carboxamide
CID 166252428
trans-(1R,2R)-2-(4-chlorophenyl)-N-[3-oxo-3-(pyridin-4-ylamino)propyl]cyclopropane-1-carboxamide
CID 95299100
trans-(1R,2R)-2-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 843468

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(4-chlorophenyl)-N-pyrazin-2-ylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-(4-chlorophenyl)-N-pyrazin-2-ylcyclopropane-1-carboxamide (CID 40650433) is cis-(1S,2R)-2-(4-chlorophenyl)-N-pyrazin-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-(4-chlorophenyl)-N-pyrazin-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-(4-chlorophenyl)-N-pyrazin-2-ylcyclopropane-1-carboxamide is O=C(Nc1cnccn1)[C@H]1C[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of cis-(1S,2R)-2-(4-chlorophenyl)-N-pyrazin-2-ylcyclopropane-1-carboxamide?
The InChIKey is QSJGTAHDHODKPS-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H12ClN3O/c15-10-3-1-9(2-4-10)11-7-12(11)14(19)18-13-8-16-5-6-17-13/h1-6,8,11-12H,7H2,(H,17,18,19)/t11-,12-/m0/s1.
What are the key properties of cis-(1S,2R)-2-(4-chlorophenyl)-N-pyrazin-2-ylcyclopropane-1-carboxamide?
cis-(1S,2R)-2-(4-chlorophenyl)-N-pyrazin-2-ylcyclopropane-1-carboxamide has a molecular weight of 273.72 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(4-chlorophenyl)-N-pyrazin-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 40650433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).