4-[(2,3-dichlorophenyl)methyl]-3-methoxy-1H-pyrazol-5-amine

C11H11Cl2N3O — CID 71271030

IUPAC4-[(2,3-dichlorophenyl)methyl]-3-methoxy-1H-pyrazol-5-amine
SMILESCOc1n[nH]c(N)c1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C11H11Cl2N3O/c1-17-11-7(10(14)15-16-11)5-6-3-2-4-8(12)9(6)13/h2-4H,5H2,1H3,(H3,14,15,16)
InChIKeyIXXKBMCUKPKNNR-UHFFFAOYSA-N
MW272.13 g/mol
LogP2.90
Rot. Bonds3

About 4-[(2,3-dichlorophenyl)methyl]-3-methoxy-1H-pyrazol-5-amine

4-[(2,3-dichlorophenyl)methyl]-3-methoxy-1H-pyrazol-5-amine (PubChem CID 71271030) has the molecular formula C11H11Cl2N3O and a molecular weight of 272.13 g/mol. Its IUPAC name is 4-[(2,3-dichlorophenyl)methyl]-3-methoxy-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[(2,3-dichlorophenyl)methyl]-3-methoxy-1H-pyrazol-5-amine
PubChem CID71271030
Molecular FormulaC11H11Cl2N3O
Molecular Weight272.13 g/mol
Exact Mass271.03
IUPAC Name4-[(2,3-dichlorophenyl)methyl]-3-methoxy-1H-pyrazol-5-amine
SMILESCOc1n[nH]c(N)c1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C11H11Cl2N3O/c1-17-11-7(10(14)15-16-11)5-6-3-2-4-8(12)9(6)13/h2-4H,5H2,1H3,(H3,14,15,16)
InChIKeyIXXKBMCUKPKNNR-UHFFFAOYSA-N
XLogP2.90
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[5-[(2,3-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-5-methoxyaniline
CID 82568924
6-[(2,3-dichlorophenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 91872292
(2,3-dichlorophenyl)methyl-methylazanium
CID 2060843
3-[(2,3-dichlorophenyl)methyl]-2-methoxy-4-[(4-nitrophenyl)methyl]pyridine
CID 154282912
5-(2,3-dichlorophenyl)-4-ethyl-1H-pyrazol-3-amine
CID 43670697
2,3-dichloro-1-[(2,3-dichlorophenyl)methyl]-4-methylbenzene
CID 14252253
3-[(2,3-dichlorophenyl)methoxy]-4-methoxyaniline
CID 107305414
1-(2,3-dichlorophenyl)-2-(methoxymethyl)butan-2-amine
CID 107307759
4-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazole
CID 121012476
2-[(2,3-dichlorophenyl)methoxy]-4-methoxyaniline
CID 107305490
2-chloro-6-[(4,6-dichloro-2-methylpyrimidin-5-yl)methyl]aniline
CID 123166256
3-[(2,3-dichlorophenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
CID 11439084

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dichlorophenyl)methyl]-3-methoxy-1H-pyrazol-5-amine?
The IUPAC name of 4-[(2,3-dichlorophenyl)methyl]-3-methoxy-1H-pyrazol-5-amine (CID 71271030) is 4-[(2,3-dichlorophenyl)methyl]-3-methoxy-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[(2,3-dichlorophenyl)methyl]-3-methoxy-1H-pyrazol-5-amine?
The canonical SMILES for 4-[(2,3-dichlorophenyl)methyl]-3-methoxy-1H-pyrazol-5-amine is COc1n[nH]c(N)c1Cc1cccc(Cl)c1Cl.
What is the InChIKey of 4-[(2,3-dichlorophenyl)methyl]-3-methoxy-1H-pyrazol-5-amine?
The InChIKey is IXXKBMCUKPKNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O/c1-17-11-7(10(14)15-16-11)5-6-3-2-4-8(12)9(6)13/h2-4H,5H2,1H3,(H3,14,15,16).
What are the key properties of 4-[(2,3-dichlorophenyl)methyl]-3-methoxy-1H-pyrazol-5-amine?
4-[(2,3-dichlorophenyl)methyl]-3-methoxy-1H-pyrazol-5-amine has a molecular weight of 272.13 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dichlorophenyl)methyl]-3-methoxy-1H-pyrazol-5-amine is sourced from PubChem (CID 71271030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).