4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-amine

C11H12ClN3O — CID 16653083

IUPAC4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-amine
SMILESCOCc1[nH]nc(N)c1-c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN3O/c1-16-6-9-10(11(13)15-14-9)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H3,13,14,15)
InChIKeyRUOLMSGFFDAALU-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.46
Rot. Bonds3

About 4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-amine

4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-amine (PubChem CID 16653083) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-amine
PubChem CID16653083
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-amine
SMILESCOCc1[nH]nc(N)c1-c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN3O/c1-16-6-9-10(11(13)15-14-9)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H3,13,14,15)
InChIKeyRUOLMSGFFDAALU-UHFFFAOYSA-N
XLogP2.46
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-amine (CID 16653083) is 4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-amine is COCc1[nH]nc(N)c1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-amine?
The InChIKey is RUOLMSGFFDAALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-16-6-9-10(11(13)15-14-9)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H3,13,14,15).
What are the key properties of 4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-amine?
4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-amine has a molecular weight of 237.69 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 16653083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).