1-[2-[5-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanol

C18H20ClFN4O — CID 164718847

IUPAC1-[2-[5-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanol
SMILESCCn1cc(Cc2cc(C)nn2-c2ccc(F)cc2C(C)O)c(Cl)n1
InChIInChI=1S/C18H20ClFN4O/c1-4-23-10-13(18(19)22-23)8-15-7-11(2)21-24(15)17-6-5-14(20)9-16(17)12(3)25/h5-7,9-10,12,25H,4,8H2,1-3H3
InChIKeyPDCNTZKRQUHQFB-UHFFFAOYSA-N
MW362.84 g/mol
LogP3.83
Rot. Bonds5

About 1-[2-[5-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanol

1-[2-[5-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanol (PubChem CID 164718847) has the molecular formula C18H20ClFN4O and a molecular weight of 362.84 g/mol. Its IUPAC name is 1-[2-[5-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[2-[5-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanol
PubChem CID164718847
Molecular FormulaC18H20ClFN4O
Molecular Weight362.84 g/mol
Exact Mass362.13
IUPAC Name1-[2-[5-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanol
SMILESCCn1cc(Cc2cc(C)nn2-c2ccc(F)cc2C(C)O)c(Cl)n1
InChIInChI=1S/C18H20ClFN4O/c1-4-23-10-13(18(19)22-23)8-15-7-11(2)21-24(15)17-6-5-14(20)9-16(17)12(3)25/h5-7,9-10,12,25H,4,8H2,1-3H3
InChIKeyPDCNTZKRQUHQFB-UHFFFAOYSA-N
XLogP3.83
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanol?
The IUPAC name of 1-[2-[5-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanol (CID 164718847) is 1-[2-[5-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanol.
What is the SMILES notation for 1-[2-[5-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanol?
The canonical SMILES for 1-[2-[5-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanol is CCn1cc(Cc2cc(C)nn2-c2ccc(F)cc2C(C)O)c(Cl)n1.
What is the InChIKey of 1-[2-[5-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanol?
The InChIKey is PDCNTZKRQUHQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN4O/c1-4-23-10-13(18(19)22-23)8-15-7-11(2)21-24(15)17-6-5-14(20)9-16(17)12(3)25/h5-7,9-10,12,25H,4,8H2,1-3H3.
What are the key properties of 1-[2-[5-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanol?
1-[2-[5-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanol has a molecular weight of 362.84 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanol is sourced from PubChem (CID 164718847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).