5-(2-chloro-5-methoxyphenyl)-1H-pyrazol-3-amine

C10H10ClN3O — CID 117321002

IUPAC5-(2-chloro-5-methoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1ccc(Cl)c(-c2cc(N)n[nH]2)c1
InChIInChI=1S/C10H10ClN3O/c1-15-6-2-3-8(11)7(4-6)9-5-10(12)14-13-9/h2-5H,1H3,(H3,12,13,14)
InChIKeyQKUAHMFWDAHRRF-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.32
Rot. Bonds2

About 5-(2-chloro-5-methoxyphenyl)-1H-pyrazol-3-amine

5-(2-chloro-5-methoxyphenyl)-1H-pyrazol-3-amine (PubChem CID 117321002) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 5-(2-chloro-5-methoxyphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-chloro-5-methoxyphenyl)-1H-pyrazol-3-amine
PubChem CID117321002
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name5-(2-chloro-5-methoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1ccc(Cl)c(-c2cc(N)n[nH]2)c1
InChIInChI=1S/C10H10ClN3O/c1-15-6-2-3-8(11)7(4-6)9-5-10(12)14-13-9/h2-5H,1H3,(H3,12,13,14)
InChIKeyQKUAHMFWDAHRRF-UHFFFAOYSA-N
XLogP2.32
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-methoxynaphthalen-1-yl)-1H-pyrazol-3-amine
CID 118614697
5-(2,5-dichlorophenyl)-3-(6-methoxynaphthalen-2-yl)-1H-pyrazole
CID 141127441
5-(3-chloro-2-methoxy-4-methylphenyl)-1H-pyrazol-3-amine
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5-(3,5-dimethoxyphenyl)-1H-pyrazol-3-amine
CID 18526074
5-(5-methoxy-1-benzothiophen-2-yl)-1H-pyrazol-3-amine
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5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-amine
CID 67188640
5-[(2-chloro-4-methoxy-N-methylanilino)methyl]-1H-pyrazol-3-amine
CID 117038673
5-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117422695
5-(6-methoxy-1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine
CID 79511841
4-(2-chloro-5-methoxyphenyl)pyridine
CID 46316938
5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine
CID 84742295
5-(2-chloro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 146632225

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-methoxyphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-chloro-5-methoxyphenyl)-1H-pyrazol-3-amine (CID 117321002) is 5-(2-chloro-5-methoxyphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-chloro-5-methoxyphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-chloro-5-methoxyphenyl)-1H-pyrazol-3-amine is COc1ccc(Cl)c(-c2cc(N)n[nH]2)c1.
What is the InChIKey of 5-(2-chloro-5-methoxyphenyl)-1H-pyrazol-3-amine?
The InChIKey is QKUAHMFWDAHRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-15-6-2-3-8(11)7(4-6)9-5-10(12)14-13-9/h2-5H,1H3,(H3,12,13,14).
What are the key properties of 5-(2-chloro-5-methoxyphenyl)-1H-pyrazol-3-amine?
5-(2-chloro-5-methoxyphenyl)-1H-pyrazol-3-amine has a molecular weight of 223.66 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-methoxyphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117321002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).