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

C11H13Cl2N3O — CID 43810771

IUPAC4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-amine;hydrochloride
SMILESCOCc1[nH]nc(N)c1-c1ccc(Cl)cc1.Cl
InChIInChI=1S/C11H12ClN3O.ClH/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);1H
InChIKeyFTHVKIBROOLHDV-UHFFFAOYSA-N
MW274.15 g/mol
LogP2.88
Rot. Bonds3

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

4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-amine;hydrochloride (PubChem CID 43810771) has the molecular formula C11H13Cl2N3O and a molecular weight of 274.15 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-amine;hydrochloride
PubChem CID43810771
Molecular FormulaC11H13Cl2N3O
Molecular Weight274.15 g/mol
Exact Mass273.04
IUPAC Name4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-amine;hydrochloride
SMILESCOCc1[nH]nc(N)c1-c1ccc(Cl)cc1.Cl
InChIInChI=1S/C11H12ClN3O.ClH/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);1H
InChIKeyFTHVKIBROOLHDV-UHFFFAOYSA-N
XLogP2.88
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 52.88
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;hydrochloride?
The IUPAC name of 4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-amine;hydrochloride (CID 43810771) is 4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-amine;hydrochloride.
What is the SMILES notation for 4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-amine;hydrochloride?
The canonical SMILES for 4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-amine;hydrochloride is COCc1[nH]nc(N)c1-c1ccc(Cl)cc1.Cl.
What is the InChIKey of 4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-amine;hydrochloride?
The InChIKey is FTHVKIBROOLHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O.ClH/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);1H.
What are the key properties of 4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-amine;hydrochloride?
4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-amine;hydrochloride has a molecular weight of 274.15 g/mol, XLogP of 2.88, 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;hydrochloride is sourced from PubChem (CID 43810771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).