5-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-3-amine

C10H9Cl2N3 — CID 82084834

IUPAC5-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-3-amine
SMILESNc1cc(Cc2ccc(Cl)c(Cl)c2)[nH]n1
InChIInChI=1S/C10H9Cl2N3/c11-8-2-1-6(4-9(8)12)3-7-5-10(13)15-14-7/h1-2,4-5H,3H2,(H3,13,14,15)
InChIKeyLHMAILHLFIJSOE-UHFFFAOYSA-N
MW242.11 g/mol
LogP2.89
Rot. Bonds2

About 5-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-3-amine

5-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-3-amine (PubChem CID 82084834) has the molecular formula C10H9Cl2N3 and a molecular weight of 242.11 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-3-amine
PubChem CID82084834
Molecular FormulaC10H9Cl2N3
Molecular Weight242.11 g/mol
Exact Mass241.02
IUPAC Name5-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-3-amine
SMILESNc1cc(Cc2ccc(Cl)c(Cl)c2)[nH]n1
InChIInChI=1S/C10H9Cl2N3/c11-8-2-1-6(4-9(8)12)3-7-5-10(13)15-14-7/h1-2,4-5H,3H2,(H3,13,14,15)
InChIKeyLHMAILHLFIJSOE-UHFFFAOYSA-N
XLogP2.89
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[4-(2-methoxyethoxy)phenyl]methyl]-1H-pyrazol-3-amine
CID 90156722
4-[(3,4-dichlorophenyl)methyl]pyridin-2-amine
CID 54402411
5-(aminomethyl)-1H-pyrazol-3-amine
CID 83845336
6-[(3,4-dichlorophenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 67332285
5-[2-(4-methylphenyl)ethyl]-1H-pyrazol-3-amine
CID 62503288
5-[(4-chloro-3-methylphenoxy)methyl]-1H-pyrazol-3-amine
CID 82083976
3-amino-5-[(3,4-dichlorophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 149128882
5-[(5-ethyl-2-methoxyphenyl)methyl]-1H-pyrazol-3-amine
CID 82082137
5-[(3,4-dichlorophenyl)methyl]-3H-1,3,4-oxadiazole-2-thione
CID 2735970
5-(4-benzylphenyl)-1H-pyrazol-3-amine
CID 3651142
5-[(3,4-dichlorophenyl)methyl]-3-methyl-1H-pyridazin-6-one
CID 53417676
1-(3-amino-1H-pyrazol-5-yl)-4-(4-fluorophenyl)butan-2-one
CID 157111933

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-3-amine (CID 82084834) is 5-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-3-amine is Nc1cc(Cc2ccc(Cl)c(Cl)c2)[nH]n1.
What is the InChIKey of 5-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-3-amine?
The InChIKey is LHMAILHLFIJSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3/c11-8-2-1-6(4-9(8)12)3-7-5-10(13)15-14-7/h1-2,4-5H,3H2,(H3,13,14,15).
What are the key properties of 5-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-3-amine?
5-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-3-amine has a molecular weight of 242.11 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 82084834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).