5-(2-chlorophenyl)-N-propan-2-ylpyrazolidine-3-carboxamide

C13H18ClN3O — CID 75138330

IUPAC5-(2-chlorophenyl)-N-propan-2-ylpyrazolidine-3-carboxamide
SMILESCC(C)NC(=O)C1CC(c2ccccc2Cl)NN1
InChIInChI=1S/C13H18ClN3O/c1-8(2)15-13(18)12-7-11(16-17-12)9-5-3-4-6-10(9)14/h3-6,8,11-12,16-17H,7H2,1-2H3,(H,15,18)
InChIKeyVIFBOOZAWFRIFV-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.77
Rot. Bonds3

About 5-(2-chlorophenyl)-N-propan-2-ylpyrazolidine-3-carboxamide

5-(2-chlorophenyl)-N-propan-2-ylpyrazolidine-3-carboxamide (PubChem CID 75138330) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-propan-2-ylpyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-propan-2-ylpyrazolidine-3-carboxamide
PubChem CID75138330
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name5-(2-chlorophenyl)-N-propan-2-ylpyrazolidine-3-carboxamide
SMILESCC(C)NC(=O)C1CC(c2ccccc2Cl)NN1
InChIInChI=1S/C13H18ClN3O/c1-8(2)15-13(18)12-7-11(16-17-12)9-5-3-4-6-10(9)14/h3-6,8,11-12,16-17H,7H2,1-2H3,(H,15,18)
InChIKeyVIFBOOZAWFRIFV-UHFFFAOYSA-N
XLogP1.77
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-chlorophenyl)-N-methylpyrazolidine-3-carboxamide
CID 75973488
5-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide
CID 52978508
5-(2-chlorophenyl)-N-(4-phenylbutan-2-yl)pyrazolidine-3-carboxamide
CID 75255190
N-(2-bromophenyl)-5-(2-chlorophenyl)pyrazolidine-3-carboxamide
CID 75254786
5-(2-chlorophenyl)-N-(4-iodophenyl)pyrazolidine-3-carboxamide
CID 75254788
5-(2-chlorophenyl)-N-(3-methoxypropyl)pyrazolidine-3-carboxamide
CID 52978511
5-(2-chlorophenyl)-N-(2,4-dimethylphenyl)pyrazolidine-3-carboxamide
CID 75254752
methyl 4-[[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]amino]benzoate
CID 74623743
[5-(2-chlorophenyl)pyrazolidin-3-yl]-piperidin-1-ylmethanone
CID 74623681
5-(2-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide
CID 75254792
5-(2-chlorophenyl)-N-(3,4-difluorophenyl)pyrazolidine-3-carboxamide
CID 75254781
5-(2-chlorophenyl)-N-(2-fluoro-5-methylphenyl)pyrazolidine-3-carboxamide
CID 75254818

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-propan-2-ylpyrazolidine-3-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-propan-2-ylpyrazolidine-3-carboxamide (CID 75138330) is 5-(2-chlorophenyl)-N-propan-2-ylpyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-propan-2-ylpyrazolidine-3-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-propan-2-ylpyrazolidine-3-carboxamide is CC(C)NC(=O)C1CC(c2ccccc2Cl)NN1.
What is the InChIKey of 5-(2-chlorophenyl)-N-propan-2-ylpyrazolidine-3-carboxamide?
The InChIKey is VIFBOOZAWFRIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-8(2)15-13(18)12-7-11(16-17-12)9-5-3-4-6-10(9)14/h3-6,8,11-12,16-17H,7H2,1-2H3,(H,15,18).
What are the key properties of 5-(2-chlorophenyl)-N-propan-2-ylpyrazolidine-3-carboxamide?
5-(2-chlorophenyl)-N-propan-2-ylpyrazolidine-3-carboxamide has a molecular weight of 267.76 g/mol, XLogP of 1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-propan-2-ylpyrazolidine-3-carboxamide is sourced from PubChem (CID 75138330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).