[4-[2-amino-3-(4-chlorophenyl)-4-pyridinyl]-1-(2-amino-1-phenylethyl)pyrazol-3-yl]methanol

C23H22ClN5O — CID 166495217

IUPAC[4-[2-amino-3-(4-chlorophenyl)-4-pyridinyl]-1-(2-amino-1-phenylethyl)pyrazol-3-yl]methanol
SMILESNCC(c1ccccc1)n1cc(-c2ccnc(N)c2-c2ccc(Cl)cc2)c(CO)n1
InChIInChI=1S/C23H22ClN5O/c24-17-8-6-16(7-9-17)22-18(10-11-27-23(22)26)19-13-29(28-20(19)14-30)21(12-25)15-4-2-1-3-5-15/h1-11,13,21,30H,12,14,25H2,(H2,26,27)
InChIKeyTVYDNRDTKWFJAT-UHFFFAOYSA-N
MW419.92 g/mol
LogP3.89
Rot. Bonds6

About [4-[2-amino-3-(4-chlorophenyl)-4-pyridinyl]-1-(2-amino-1-phenylethyl)pyrazol-3-yl]methanol

[4-[2-amino-3-(4-chlorophenyl)-4-pyridinyl]-1-(2-amino-1-phenylethyl)pyrazol-3-yl]methanol (PubChem CID 166495217) has the molecular formula C23H22ClN5O and a molecular weight of 419.92 g/mol. Its IUPAC name is [4-[2-amino-3-(4-chlorophenyl)-4-pyridinyl]-1-(2-amino-1-phenylethyl)pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[4-[2-amino-3-(4-chlorophenyl)-4-pyridinyl]-1-(2-amino-1-phenylethyl)pyrazol-3-yl]methanol
PubChem CID166495217
Molecular FormulaC23H22ClN5O
Molecular Weight419.92 g/mol
Exact Mass419.15
IUPAC Name[4-[2-amino-3-(4-chlorophenyl)-4-pyridinyl]-1-(2-amino-1-phenylethyl)pyrazol-3-yl]methanol
SMILESNCC(c1ccccc1)n1cc(-c2ccnc(N)c2-c2ccc(Cl)cc2)c(CO)n1
InChIInChI=1S/C23H22ClN5O/c24-17-8-6-16(7-9-17)22-18(10-11-27-23(22)26)19-13-29(28-20(19)14-30)21(12-25)15-4-2-1-3-5-15/h1-11,13,21,30H,12,14,25H2,(H2,26,27)
InChIKeyTVYDNRDTKWFJAT-UHFFFAOYSA-N
XLogP3.89
TPSA102.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.92
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[2-amino-3-(4-chlorophenyl)-4-pyridinyl]-1-(2-amino-1-phenylethyl)pyrazol-3-yl]methanol?
The IUPAC name of [4-[2-amino-3-(4-chlorophenyl)-4-pyridinyl]-1-(2-amino-1-phenylethyl)pyrazol-3-yl]methanol (CID 166495217) is [4-[2-amino-3-(4-chlorophenyl)-4-pyridinyl]-1-(2-amino-1-phenylethyl)pyrazol-3-yl]methanol.
What is the SMILES notation for [4-[2-amino-3-(4-chlorophenyl)-4-pyridinyl]-1-(2-amino-1-phenylethyl)pyrazol-3-yl]methanol?
The canonical SMILES for [4-[2-amino-3-(4-chlorophenyl)-4-pyridinyl]-1-(2-amino-1-phenylethyl)pyrazol-3-yl]methanol is NCC(c1ccccc1)n1cc(-c2ccnc(N)c2-c2ccc(Cl)cc2)c(CO)n1.
What is the InChIKey of [4-[2-amino-3-(4-chlorophenyl)-4-pyridinyl]-1-(2-amino-1-phenylethyl)pyrazol-3-yl]methanol?
The InChIKey is TVYDNRDTKWFJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O/c24-17-8-6-16(7-9-17)22-18(10-11-27-23(22)26)19-13-29(28-20(19)14-30)21(12-25)15-4-2-1-3-5-15/h1-11,13,21,30H,12,14,25H2,(H2,26,27).
What are the key properties of [4-[2-amino-3-(4-chlorophenyl)-4-pyridinyl]-1-(2-amino-1-phenylethyl)pyrazol-3-yl]methanol?
[4-[2-amino-3-(4-chlorophenyl)-4-pyridinyl]-1-(2-amino-1-phenylethyl)pyrazol-3-yl]methanol has a molecular weight of 419.92 g/mol, XLogP of 3.89, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-amino-3-(4-chlorophenyl)-4-pyridinyl]-1-(2-amino-1-phenylethyl)pyrazol-3-yl]methanol is sourced from PubChem (CID 166495217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).