4-[(3-chlorophenyl)methyl]-1-(4,5-dihydro-1H-imidazol-2-yl)-3-(4-fluorophenyl)pyrazol-5-amine

C19H17ClFN5 — CID 90154157

IUPAC4-[(3-chlorophenyl)methyl]-1-(4,5-dihydro-1H-imidazol-2-yl)-3-(4-fluorophenyl)pyrazol-5-amine
SMILESNc1c(Cc2cccc(Cl)c2)c(-c2ccc(F)cc2)nn1C1=NCCN1
InChIInChI=1S/C19H17ClFN5/c20-14-3-1-2-12(10-14)11-16-17(13-4-6-15(21)7-5-13)25-26(18(16)22)19-23-8-9-24-19/h1-7,10H,8-9,11,22H2,(H,23,24)
InChIKeyVQHILXZBYNRLAV-UHFFFAOYSA-N
MW369.83 g/mol
LogP3.32
Rot. Bonds3

About 4-[(3-chlorophenyl)methyl]-1-(4,5-dihydro-1H-imidazol-2-yl)-3-(4-fluorophenyl)pyrazol-5-amine

4-[(3-chlorophenyl)methyl]-1-(4,5-dihydro-1H-imidazol-2-yl)-3-(4-fluorophenyl)pyrazol-5-amine (PubChem CID 90154157) has the molecular formula C19H17ClFN5 and a molecular weight of 369.83 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methyl]-1-(4,5-dihydro-1H-imidazol-2-yl)-3-(4-fluorophenyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methyl]-1-(4,5-dihydro-1H-imidazol-2-yl)-3-(4-fluorophenyl)pyrazol-5-amine
PubChem CID90154157
Molecular FormulaC19H17ClFN5
Molecular Weight369.83 g/mol
Exact Mass369.12
IUPAC Name4-[(3-chlorophenyl)methyl]-1-(4,5-dihydro-1H-imidazol-2-yl)-3-(4-fluorophenyl)pyrazol-5-amine
SMILESNc1c(Cc2cccc(Cl)c2)c(-c2ccc(F)cc2)nn1C1=NCCN1
InChIInChI=1S/C19H17ClFN5/c20-14-3-1-2-12(10-14)11-16-17(13-4-6-15(21)7-5-13)25-26(18(16)22)19-23-8-9-24-19/h1-7,10H,8-9,11,22H2,(H,23,24)
InChIKeyVQHILXZBYNRLAV-UHFFFAOYSA-N
XLogP3.32
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methyl]-1-(4,5-dihydro-1H-imidazol-2-yl)-3-(4-fluorophenyl)pyrazol-5-amine?
The IUPAC name of 4-[(3-chlorophenyl)methyl]-1-(4,5-dihydro-1H-imidazol-2-yl)-3-(4-fluorophenyl)pyrazol-5-amine (CID 90154157) is 4-[(3-chlorophenyl)methyl]-1-(4,5-dihydro-1H-imidazol-2-yl)-3-(4-fluorophenyl)pyrazol-5-amine.
What is the SMILES notation for 4-[(3-chlorophenyl)methyl]-1-(4,5-dihydro-1H-imidazol-2-yl)-3-(4-fluorophenyl)pyrazol-5-amine?
The canonical SMILES for 4-[(3-chlorophenyl)methyl]-1-(4,5-dihydro-1H-imidazol-2-yl)-3-(4-fluorophenyl)pyrazol-5-amine is Nc1c(Cc2cccc(Cl)c2)c(-c2ccc(F)cc2)nn1C1=NCCN1.
What is the InChIKey of 4-[(3-chlorophenyl)methyl]-1-(4,5-dihydro-1H-imidazol-2-yl)-3-(4-fluorophenyl)pyrazol-5-amine?
The InChIKey is VQHILXZBYNRLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN5/c20-14-3-1-2-12(10-14)11-16-17(13-4-6-15(21)7-5-13)25-26(18(16)22)19-23-8-9-24-19/h1-7,10H,8-9,11,22H2,(H,23,24).
What are the key properties of 4-[(3-chlorophenyl)methyl]-1-(4,5-dihydro-1H-imidazol-2-yl)-3-(4-fluorophenyl)pyrazol-5-amine?
4-[(3-chlorophenyl)methyl]-1-(4,5-dihydro-1H-imidazol-2-yl)-3-(4-fluorophenyl)pyrazol-5-amine has a molecular weight of 369.83 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methyl]-1-(4,5-dihydro-1H-imidazol-2-yl)-3-(4-fluorophenyl)pyrazol-5-amine is sourced from PubChem (CID 90154157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).