(1R)-N-(1-benzylpyrazol-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide

C15H15Cl2N3O — CID 7770311

IUPAC(1R)-N-(1-benzylpyrazol-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
SMILESC[C@]1(C(=O)Nc2cnn(Cc3ccccc3)c2)CC1(Cl)Cl
InChIInChI=1S/C15H15Cl2N3O/c1-14(10-15(14,16)17)13(21)19-12-7-18-20(9-12)8-11-5-3-2-4-6-11/h2-7,9H,8,10H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyXCGCQJCLAKBUIQ-CQSZACIVSA-N
MW324.21 g/mol
LogP3.45
Rot. Bonds4

About (1R)-N-(1-benzylpyrazol-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide

(1R)-N-(1-benzylpyrazol-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide (PubChem CID 7770311) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is (1R)-N-(1-benzylpyrazol-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-(1-benzylpyrazol-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
PubChem CID7770311
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC Name(1R)-N-(1-benzylpyrazol-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
SMILESC[C@]1(C(=O)Nc2cnn(Cc3ccccc3)c2)CC1(Cl)Cl
InChIInChI=1S/C15H15Cl2N3O/c1-14(10-15(14,16)17)13(21)19-12-7-18-20(9-12)8-11-5-3-2-4-6-11/h2-7,9H,8,10H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyXCGCQJCLAKBUIQ-CQSZACIVSA-N
XLogP3.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 56818896
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CID 54867188
1-(1-benzylpyrazol-4-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
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1-(1-benzylpyrazol-4-yl)-3-(2,2,5,5-tetramethyloxolan-3-yl)urea
CID 127768446
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
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CID 60934374
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N-(1-benzylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 134701053
N-(1-benzylpyrazol-4-yl)-2-(4-chloropyrazol-1-yl)acetamide
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N-(1-benzylpyrazol-4-yl)-3-(4-chlorophenyl)propanamide
CID 35531704
N-(1-benzylpyrazol-4-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110014209
3,5-diacetamido-N-(1-benzylpyrazol-4-yl)benzamide
CID 60552582

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(1-benzylpyrazol-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide?
The IUPAC name of (1R)-N-(1-benzylpyrazol-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide (CID 7770311) is (1R)-N-(1-benzylpyrazol-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-N-(1-benzylpyrazol-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for (1R)-N-(1-benzylpyrazol-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide is C[C@]1(C(=O)Nc2cnn(Cc3ccccc3)c2)CC1(Cl)Cl.
What is the InChIKey of (1R)-N-(1-benzylpyrazol-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide?
The InChIKey is XCGCQJCLAKBUIQ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H15Cl2N3O/c1-14(10-15(14,16)17)13(21)19-12-7-18-20(9-12)8-11-5-3-2-4-6-11/h2-7,9H,8,10H2,1H3,(H,19,21)/t14-/m1/s1.
What are the key properties of (1R)-N-(1-benzylpyrazol-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide?
(1R)-N-(1-benzylpyrazol-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide has a molecular weight of 324.21 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(1-benzylpyrazol-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 7770311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).