2-[4-(2,4-dichlorophenoxy)-5-methyl-1H-pyrazol-3-yl]-5-(2H-tetrazol-5-ylmethoxy)phenol

C18H14Cl2N6O3 — CID 164946717

IUPAC2-[4-(2,4-dichlorophenoxy)-5-methyl-1H-pyrazol-3-yl]-5-(2H-tetrazol-5-ylmethoxy)phenol
SMILESCc1[nH]nc(-c2ccc(OCc3nn[nH]n3)cc2O)c1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H14Cl2N6O3/c1-9-18(29-15-5-2-10(19)6-13(15)20)17(24-21-9)12-4-3-11(7-14(12)27)28-8-16-22-25-26-23-16/h2-7,27H,8H2,1H3,(H,21,24)(H,22,23,25,26)
InChIKeyRZGVUGDKIXTIMM-UHFFFAOYSA-N
MW433.26 g/mol
LogP4.28
Rot. Bonds6

About 2-[4-(2,4-dichlorophenoxy)-5-methyl-1H-pyrazol-3-yl]-5-(2H-tetrazol-5-ylmethoxy)phenol

2-[4-(2,4-dichlorophenoxy)-5-methyl-1H-pyrazol-3-yl]-5-(2H-tetrazol-5-ylmethoxy)phenol (PubChem CID 164946717) has the molecular formula C18H14Cl2N6O3 and a molecular weight of 433.26 g/mol. Its IUPAC name is 2-[4-(2,4-dichlorophenoxy)-5-methyl-1H-pyrazol-3-yl]-5-(2H-tetrazol-5-ylmethoxy)phenol.

Molecular Properties

Compound Name2-[4-(2,4-dichlorophenoxy)-5-methyl-1H-pyrazol-3-yl]-5-(2H-tetrazol-5-ylmethoxy)phenol
PubChem CID164946717
Molecular FormulaC18H14Cl2N6O3
Molecular Weight433.26 g/mol
Exact Mass432.05
IUPAC Name2-[4-(2,4-dichlorophenoxy)-5-methyl-1H-pyrazol-3-yl]-5-(2H-tetrazol-5-ylmethoxy)phenol
SMILESCc1[nH]nc(-c2ccc(OCc3nn[nH]n3)cc2O)c1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H14Cl2N6O3/c1-9-18(29-15-5-2-10(19)6-13(15)20)17(24-21-9)12-4-3-11(7-14(12)27)28-8-16-22-25-26-23-16/h2-7,27H,8H2,1H3,(H,21,24)(H,22,23,25,26)
InChIKeyRZGVUGDKIXTIMM-UHFFFAOYSA-N
XLogP4.28
TPSA121.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.26
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(3-chlorophenyl)methoxy]-2-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenol
CID 135651835
2-[4-(2-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-5-[(2-methylphenyl)methoxy]phenol
CID 135651652
5-[(3,4-dimethylphenoxy)methyl]-2H-tetrazole
CID 82076912
2-[4-(2-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-5-(2-methylprop-2-enoxy)phenol
CID 3576996
2-[3-hydroxy-4-[4-(2-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenoxy]acetohydrazide
CID 1394611
2-[4-(2-chlorophenoxy)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-[(4-chlorophenyl)methoxy]phenol
CID 137196382
3-[(4-chlorophenyl)methoxy]-2-methyl-6-(5-methyl-4-phenoxy-1H-pyrazol-3-yl)phenol
CID 3639615
5-chloro-2-(2H-tetrazol-5-ylmethoxy)benzoic acid
CID 154268180
5-[(3-bromo-4-methylphenoxy)methyl]-2H-tetrazole
CID 131046406
5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol
CID 3647867
5-[(2,4-dichlorophenyl)methoxy]-2-[4-(2,5-dimethylphenoxy)-1H-pyrazol-5-yl]phenol
CID 135618857
methyl 4-[[3-[4-(2-hydrazinyl-2-oxoethoxy)-2-hydroxyphenyl]-5-methyl-1H-pyrazol-4-yl]oxy]benzoate
CID 2020812

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dichlorophenoxy)-5-methyl-1H-pyrazol-3-yl]-5-(2H-tetrazol-5-ylmethoxy)phenol?
The IUPAC name of 2-[4-(2,4-dichlorophenoxy)-5-methyl-1H-pyrazol-3-yl]-5-(2H-tetrazol-5-ylmethoxy)phenol (CID 164946717) is 2-[4-(2,4-dichlorophenoxy)-5-methyl-1H-pyrazol-3-yl]-5-(2H-tetrazol-5-ylmethoxy)phenol.
What is the SMILES notation for 2-[4-(2,4-dichlorophenoxy)-5-methyl-1H-pyrazol-3-yl]-5-(2H-tetrazol-5-ylmethoxy)phenol?
The canonical SMILES for 2-[4-(2,4-dichlorophenoxy)-5-methyl-1H-pyrazol-3-yl]-5-(2H-tetrazol-5-ylmethoxy)phenol is Cc1[nH]nc(-c2ccc(OCc3nn[nH]n3)cc2O)c1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[4-(2,4-dichlorophenoxy)-5-methyl-1H-pyrazol-3-yl]-5-(2H-tetrazol-5-ylmethoxy)phenol?
The InChIKey is RZGVUGDKIXTIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N6O3/c1-9-18(29-15-5-2-10(19)6-13(15)20)17(24-21-9)12-4-3-11(7-14(12)27)28-8-16-22-25-26-23-16/h2-7,27H,8H2,1H3,(H,21,24)(H,22,23,25,26).
What are the key properties of 2-[4-(2,4-dichlorophenoxy)-5-methyl-1H-pyrazol-3-yl]-5-(2H-tetrazol-5-ylmethoxy)phenol?
2-[4-(2,4-dichlorophenoxy)-5-methyl-1H-pyrazol-3-yl]-5-(2H-tetrazol-5-ylmethoxy)phenol has a molecular weight of 433.26 g/mol, XLogP of 4.28, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dichlorophenoxy)-5-methyl-1H-pyrazol-3-yl]-5-(2H-tetrazol-5-ylmethoxy)phenol is sourced from PubChem (CID 164946717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).