1-(3,4-dichlorophenyl)pyrazolidine-3-carbaldehyde

C10H10Cl2N2O — CID 174772773

IUPAC1-(3,4-dichlorophenyl)pyrazolidine-3-carbaldehyde
SMILESO=CC1CCN(c2ccc(Cl)c(Cl)c2)N1
InChIInChI=1S/C10H10Cl2N2O/c11-9-2-1-8(5-10(9)12)14-4-3-7(6-15)13-14/h1-2,5-7,13H,3-4H2
InChIKeyTYJQSEZJHIHUCQ-UHFFFAOYSA-N
MW245.11 g/mol
LogP2.28
Rot. Bonds2

About 1-(3,4-dichlorophenyl)pyrazolidine-3-carbaldehyde

1-(3,4-dichlorophenyl)pyrazolidine-3-carbaldehyde (PubChem CID 174772773) has the molecular formula C10H10Cl2N2O and a molecular weight of 245.11 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)pyrazolidine-3-carbaldehyde.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)pyrazolidine-3-carbaldehyde
PubChem CID174772773
Molecular FormulaC10H10Cl2N2O
Molecular Weight245.11 g/mol
Exact Mass244.02
IUPAC Name1-(3,4-dichlorophenyl)pyrazolidine-3-carbaldehyde
SMILESO=CC1CCN(c2ccc(Cl)c(Cl)c2)N1
InChIInChI=1S/C10H10Cl2N2O/c11-9-2-1-8(5-10(9)12)14-4-3-7(6-15)13-14/h1-2,5-7,13H,3-4H2
InChIKeyTYJQSEZJHIHUCQ-UHFFFAOYSA-N
XLogP2.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.11
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dichlorophenyl)-3-(methylamino)pyrrolidin-2-one
CID 54353900
1-(3,4-dichlorophenyl)piperidin-3-ol
CID 117012806
3-(3,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione
CID 12900458
8-(3,4-dichlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738935
1-(3,4-dichlorophenyl)azetidin-3-ol
CID 155174092
1-[(2,5-dichlorophenyl)methyl]piperidine-4-carbaldehyde
CID 65318635
1-(3,4-dichlorophenyl)-N-methylpyrrolidin-3-amine
CID 60860458
(3S)-1-(3,4-dichlorophenyl)piperidin-3-amine
CID 82038542
1-(3,4-dichlorophenyl)piperidin-3-amine
CID 62537230
9-(3,4-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 62713577
methyl 1-(3,4-dichlorophenyl)azetidine-2-carboxylate
CID 112581074
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dichlorophenyl)pyrrolidin-2-one;hydrochloride
CID 120864535

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)pyrazolidine-3-carbaldehyde?
The IUPAC name of 1-(3,4-dichlorophenyl)pyrazolidine-3-carbaldehyde (CID 174772773) is 1-(3,4-dichlorophenyl)pyrazolidine-3-carbaldehyde.
What is the SMILES notation for 1-(3,4-dichlorophenyl)pyrazolidine-3-carbaldehyde?
The canonical SMILES for 1-(3,4-dichlorophenyl)pyrazolidine-3-carbaldehyde is O=CC1CCN(c2ccc(Cl)c(Cl)c2)N1.
What is the InChIKey of 1-(3,4-dichlorophenyl)pyrazolidine-3-carbaldehyde?
The InChIKey is TYJQSEZJHIHUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O/c11-9-2-1-8(5-10(9)12)14-4-3-7(6-15)13-14/h1-2,5-7,13H,3-4H2.
What are the key properties of 1-(3,4-dichlorophenyl)pyrazolidine-3-carbaldehyde?
1-(3,4-dichlorophenyl)pyrazolidine-3-carbaldehyde has a molecular weight of 245.11 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)pyrazolidine-3-carbaldehyde is sourced from PubChem (CID 174772773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).