5-(3-chloro-2-methoxy-4-methylphenyl)-1H-pyrazol-3-amine

C11H12ClN3O — CID 117348125

IUPAC5-(3-chloro-2-methoxy-4-methylphenyl)-1H-pyrazol-3-amine
SMILESCOc1c(-c2cc(N)n[nH]2)ccc(C)c1Cl
InChIInChI=1S/C11H12ClN3O/c1-6-3-4-7(11(16-2)10(6)12)8-5-9(13)15-14-8/h3-5H,1-2H3,(H3,13,14,15)
InChIKeyIZQMFTKKAPIENS-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.63
Rot. Bonds2

About 5-(3-chloro-2-methoxy-4-methylphenyl)-1H-pyrazol-3-amine

5-(3-chloro-2-methoxy-4-methylphenyl)-1H-pyrazol-3-amine (PubChem CID 117348125) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 5-(3-chloro-2-methoxy-4-methylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-chloro-2-methoxy-4-methylphenyl)-1H-pyrazol-3-amine
PubChem CID117348125
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name5-(3-chloro-2-methoxy-4-methylphenyl)-1H-pyrazol-3-amine
SMILESCOc1c(-c2cc(N)n[nH]2)ccc(C)c1Cl
InChIInChI=1S/C11H12ClN3O/c1-6-3-4-7(11(16-2)10(6)12)8-5-9(13)15-14-8/h3-5H,1-2H3,(H3,13,14,15)
InChIKeyIZQMFTKKAPIENS-UHFFFAOYSA-N
XLogP2.63
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-amino-1H-pyrazol-5-yl)-2-chloro-3-methylphenol
CID 136968444
5-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)-1H-pyrazol-3-amine
CID 117414124
5-(2-chloro-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-3-amine
CID 117422703
5-(3,4-dimethyl-2-propan-2-yloxyphenyl)-1H-pyrazol-3-amine
CID 117365767
5-(3-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine;hydrobromide
CID 117464714
2-(3-amino-1H-pyrazol-5-yl)-5-chloro-6-methoxy-3-methylphenol
CID 136942315
5-(3,5-difluoro-2-methoxyphenyl)-1H-pyrazol-3-amine
CID 117322792
5-(2-chloro-3,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine
CID 117455938
5-(2-chloro-5-methoxyphenyl)-1H-pyrazol-3-amine
CID 117321002
5-(3-ethyl-2-methoxyphenyl)-1H-pyrazol-3-amine
CID 117309562
5-(2-methoxy-3,4,6-trimethylphenyl)-1H-pyrazol-3-amine
CID 115111588
2-(3-amino-1H-pyrazol-5-yl)-4-methoxy-5-methylphenol
CID 136993747

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-methoxy-4-methylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-chloro-2-methoxy-4-methylphenyl)-1H-pyrazol-3-amine (CID 117348125) is 5-(3-chloro-2-methoxy-4-methylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-chloro-2-methoxy-4-methylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-chloro-2-methoxy-4-methylphenyl)-1H-pyrazol-3-amine is COc1c(-c2cc(N)n[nH]2)ccc(C)c1Cl.
What is the InChIKey of 5-(3-chloro-2-methoxy-4-methylphenyl)-1H-pyrazol-3-amine?
The InChIKey is IZQMFTKKAPIENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-6-3-4-7(11(16-2)10(6)12)8-5-9(13)15-14-8/h3-5H,1-2H3,(H3,13,14,15).
What are the key properties of 5-(3-chloro-2-methoxy-4-methylphenyl)-1H-pyrazol-3-amine?
5-(3-chloro-2-methoxy-4-methylphenyl)-1H-pyrazol-3-amine has a molecular weight of 237.69 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-methoxy-4-methylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117348125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).