(1R)-2,2-dichloro-1-methyl-N-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide

C9H11Cl2N3O — CID 30398437

IUPAC(1R)-2,2-dichloro-1-methyl-N-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide
SMILESCn1ccc(NC(=O)[C@@]2(C)CC2(Cl)Cl)n1
InChIInChI=1S/C9H11Cl2N3O/c1-8(5-9(8,10)11)7(15)12-6-3-4-14(2)13-6/h3-4H,5H2,1-2H3,(H,12,13,15)/t8-/m1/s1
InChIKeySCLWPPRFTSUEGC-MRVPVSSYSA-N
MW248.11 g/mol
LogP1.94
Rot. Bonds2

About (1R)-2,2-dichloro-1-methyl-N-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide

(1R)-2,2-dichloro-1-methyl-N-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide (PubChem CID 30398437) has the molecular formula C9H11Cl2N3O and a molecular weight of 248.11 g/mol. Its IUPAC name is (1R)-2,2-dichloro-1-methyl-N-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2,2-dichloro-1-methyl-N-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide
PubChem CID30398437
Molecular FormulaC9H11Cl2N3O
Molecular Weight248.11 g/mol
Exact Mass247.03
IUPAC Name(1R)-2,2-dichloro-1-methyl-N-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide
SMILESCn1ccc(NC(=O)[C@@]2(C)CC2(Cl)Cl)n1
InChIInChI=1S/C9H11Cl2N3O/c1-8(5-9(8,10)11)7(15)12-6-3-4-14(2)13-6/h3-4H,5H2,1-2H3,(H,12,13,15)/t8-/m1/s1
InChIKeySCLWPPRFTSUEGC-MRVPVSSYSA-N
XLogP1.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dichloro-1-methyl-N-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of (1R)-2,2-dichloro-1-methyl-N-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide (CID 30398437) is (1R)-2,2-dichloro-1-methyl-N-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-2,2-dichloro-1-methyl-N-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for (1R)-2,2-dichloro-1-methyl-N-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide is Cn1ccc(NC(=O)[C@@]2(C)CC2(Cl)Cl)n1.
What is the InChIKey of (1R)-2,2-dichloro-1-methyl-N-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is SCLWPPRFTSUEGC-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11Cl2N3O/c1-8(5-9(8,10)11)7(15)12-6-3-4-14(2)13-6/h3-4H,5H2,1-2H3,(H,12,13,15)/t8-/m1/s1.
What are the key properties of (1R)-2,2-dichloro-1-methyl-N-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide?
(1R)-2,2-dichloro-1-methyl-N-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 248.11 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dichloro-1-methyl-N-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 30398437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).