cis-(1S,2R)-2-(3,4-dichlorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide

C15H15Cl2N3O — CID 95279473

IUPACcis-(1S,2R)-2-(3,4-dichlorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1[nH]ncc1CNC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H15Cl2N3O/c1-8-10(7-19-20-8)6-18-15(21)12-5-11(12)9-2-3-13(16)14(17)4-9/h2-4,7,11-12H,5-6H2,1H3,(H,18,21)(H,19,20)/t11-,12-/m0/s1
InChIKeyRTHNGMPTIRJHJU-RYUDHWBXSA-N
MW324.21 g/mol
LogP3.44
Rot. Bonds4

About cis-(1S,2R)-2-(3,4-dichlorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide

cis-(1S,2R)-2-(3,4-dichlorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 95279473) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is cis-(1S,2R)-2-(3,4-dichlorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-(3,4-dichlorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide
PubChem CID95279473
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC Namecis-(1S,2R)-2-(3,4-dichlorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1[nH]ncc1CNC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H15Cl2N3O/c1-8-10(7-19-20-8)6-18-15(21)12-5-11(12)9-2-3-13(16)14(17)4-9/h2-4,7,11-12H,5-6H2,1H3,(H,18,21)(H,19,20)/t11-,12-/m0/s1
InChIKeyRTHNGMPTIRJHJU-RYUDHWBXSA-N
XLogP3.44
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 49491563
N-(2-amino-2-methylpropyl)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119627426
methyl 3-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate
CID 95245166
2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 106739536
trans-(1R,2R)-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide
CID 95244980
N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide
CID 64766749
2-(3,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)cyclopropane-1-carboxamide
CID 111480579
cis-(1R,2S)-2-(3,4-dichlorophenyl)-N-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 97073116
(1S)-2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 136580628
1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone
CID 43150273
(2R,3S)-2-(3-chlorophenyl)-1-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97317117
(2S,3S)-2-(3-chlorophenyl)-1-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97317115

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(3,4-dichlorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-(3,4-dichlorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide (CID 95279473) is cis-(1S,2R)-2-(3,4-dichlorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-(3,4-dichlorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-(3,4-dichlorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide is Cc1[nH]ncc1CNC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of cis-(1S,2R)-2-(3,4-dichlorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is RTHNGMPTIRJHJU-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H15Cl2N3O/c1-8-10(7-19-20-8)6-18-15(21)12-5-11(12)9-2-3-13(16)14(17)4-9/h2-4,7,11-12H,5-6H2,1H3,(H,18,21)(H,19,20)/t11-,12-/m0/s1.
What are the key properties of cis-(1S,2R)-2-(3,4-dichlorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide?
cis-(1S,2R)-2-(3,4-dichlorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 324.21 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(3,4-dichlorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 95279473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).