[3-(3,4-dichlorophenyl)-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl]methanamine

C15H14Cl2N4 — CID 82072903

IUPAC[3-(3,4-dichlorophenyl)-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl]methanamine
SMILESNCC1=NN(c2ccccn2)C(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H14Cl2N4/c16-12-5-4-10(7-13(12)17)14-8-11(9-18)20-21(14)15-3-1-2-6-19-15/h1-7,14H,8-9,18H2
InChIKeySPSBLRVKESAVAU-UHFFFAOYSA-N
MW321.21 g/mol
LogP3.65
Rot. Bonds3

About [3-(3,4-dichlorophenyl)-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl]methanamine

[3-(3,4-dichlorophenyl)-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl]methanamine (PubChem CID 82072903) has the molecular formula C15H14Cl2N4 and a molecular weight of 321.21 g/mol. Its IUPAC name is [3-(3,4-dichlorophenyl)-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(3,4-dichlorophenyl)-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl]methanamine
PubChem CID82072903
Molecular FormulaC15H14Cl2N4
Molecular Weight321.21 g/mol
Exact Mass320.06
IUPAC Name[3-(3,4-dichlorophenyl)-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl]methanamine
SMILESNCC1=NN(c2ccccn2)C(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H14Cl2N4/c16-12-5-4-10(7-13(12)17)14-8-11(9-18)20-21(14)15-3-1-2-6-19-15/h1-7,14H,8-9,18H2
InChIKeySPSBLRVKESAVAU-UHFFFAOYSA-N
XLogP3.65
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-propoxyphenyl)-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl]methanamine
CID 82072317
2-(3-phenyl-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl)ethanamine
CID 82071795
2-[3-(4-chlorophenyl)-5-methyl-3,4-dihydropyrazol-2-yl]pyridine
CID 155406104
[2-(3-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine
CID 82071807
[3-(4-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82071991
[2-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine
CID 82071810
[2-benzyl-3-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82071990
[2-(5-chloro-2-methylphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82072199
[3-(2-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82072664
[2-(4-chlorophenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82072730
2-[(2S)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide
CID 94418866
1,1-dideuterio-4-(3,4-dichlorophenyl)-2-pyridin-2-yl-3,4-dihydroisoquinoline;hydrochloride
CID 175817990

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dichlorophenyl)-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl]methanamine?
The IUPAC name of [3-(3,4-dichlorophenyl)-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl]methanamine (CID 82072903) is [3-(3,4-dichlorophenyl)-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl]methanamine.
What is the SMILES notation for [3-(3,4-dichlorophenyl)-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl]methanamine?
The canonical SMILES for [3-(3,4-dichlorophenyl)-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl]methanamine is NCC1=NN(c2ccccn2)C(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of [3-(3,4-dichlorophenyl)-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl]methanamine?
The InChIKey is SPSBLRVKESAVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4/c16-12-5-4-10(7-13(12)17)14-8-11(9-18)20-21(14)15-3-1-2-6-19-15/h1-7,14H,8-9,18H2.
What are the key properties of [3-(3,4-dichlorophenyl)-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl]methanamine?
[3-(3,4-dichlorophenyl)-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl]methanamine has a molecular weight of 321.21 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dichlorophenyl)-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl]methanamine is sourced from PubChem (CID 82072903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).