1-[[4-[3-(2-chlorophenyl)-4-(1H-pyrazol-5-yl)pyrazol-1-yl]-2-pyridinyl]amino]ethanol

C19H17ClN6O — CID 123790132

IUPAC1-[[4-[3-(2-chlorophenyl)-4-(1H-pyrazol-5-yl)pyrazol-1-yl]-2-pyridinyl]amino]ethanol
SMILESCC(O)Nc1cc(-n2cc(-c3ccn[nH]3)c(-c3ccccc3Cl)n2)ccn1
InChIInChI=1S/C19H17ClN6O/c1-12(27)23-18-10-13(6-8-21-18)26-11-15(17-7-9-22-24-17)19(25-26)14-4-2-3-5-16(14)20/h2-12,27H,1H3,(H,21,23)(H,22,24)
InChIKeyWUTOVGMQCRITMQ-UHFFFAOYSA-N
MW380.84 g/mol
LogP3.73
Rot. Bonds5

About 1-[[4-[3-(2-chlorophenyl)-4-(1H-pyrazol-5-yl)pyrazol-1-yl]-2-pyridinyl]amino]ethanol

1-[[4-[3-(2-chlorophenyl)-4-(1H-pyrazol-5-yl)pyrazol-1-yl]-2-pyridinyl]amino]ethanol (PubChem CID 123790132) has the molecular formula C19H17ClN6O and a molecular weight of 380.84 g/mol. Its IUPAC name is 1-[[4-[3-(2-chlorophenyl)-4-(1H-pyrazol-5-yl)pyrazol-1-yl]-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name1-[[4-[3-(2-chlorophenyl)-4-(1H-pyrazol-5-yl)pyrazol-1-yl]-2-pyridinyl]amino]ethanol
PubChem CID123790132
Molecular FormulaC19H17ClN6O
Molecular Weight380.84 g/mol
Exact Mass380.12
IUPAC Name1-[[4-[3-(2-chlorophenyl)-4-(1H-pyrazol-5-yl)pyrazol-1-yl]-2-pyridinyl]amino]ethanol
SMILESCC(O)Nc1cc(-n2cc(-c3ccn[nH]3)c(-c3ccccc3Cl)n2)ccn1
InChIInChI=1S/C19H17ClN6O/c1-12(27)23-18-10-13(6-8-21-18)26-11-15(17-7-9-22-24-17)19(25-26)14-4-2-3-5-16(14)20/h2-12,27H,1H3,(H,21,23)(H,22,24)
InChIKeyWUTOVGMQCRITMQ-UHFFFAOYSA-N
XLogP3.73
TPSA91.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Tinengotinib
CID 137279257
2-(4-(3-(4-chlorophenyl)-4-(pyrimidin-4-yl)-1H-pyrazol-5-yl)piperidin-1-yl)ethanol
CID 9827288
N-cyclohexyl-3-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
CID 46913411
N-cyclohexyl-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
CID 59618916
N-(4-chlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine
CID 59618941
N-(2-chlorophenyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
CID 68291448
1-[6-[(4-chlorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol
CID 168237668
1-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 71554799
1-[(3-chloro-4-fluorophenyl)methyl]-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 71555837
1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 71555838
1-[(2-chloro-6-fluorophenyl)methyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 89536040
1-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-3-[3-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 136271315

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[3-(2-chlorophenyl)-4-(1H-pyrazol-5-yl)pyrazol-1-yl]-2-pyridinyl]amino]ethanol?
The IUPAC name of 1-[[4-[3-(2-chlorophenyl)-4-(1H-pyrazol-5-yl)pyrazol-1-yl]-2-pyridinyl]amino]ethanol (CID 123790132) is 1-[[4-[3-(2-chlorophenyl)-4-(1H-pyrazol-5-yl)pyrazol-1-yl]-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 1-[[4-[3-(2-chlorophenyl)-4-(1H-pyrazol-5-yl)pyrazol-1-yl]-2-pyridinyl]amino]ethanol?
The canonical SMILES for 1-[[4-[3-(2-chlorophenyl)-4-(1H-pyrazol-5-yl)pyrazol-1-yl]-2-pyridinyl]amino]ethanol is CC(O)Nc1cc(-n2cc(-c3ccn[nH]3)c(-c3ccccc3Cl)n2)ccn1.
What is the InChIKey of 1-[[4-[3-(2-chlorophenyl)-4-(1H-pyrazol-5-yl)pyrazol-1-yl]-2-pyridinyl]amino]ethanol?
The InChIKey is WUTOVGMQCRITMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O/c1-12(27)23-18-10-13(6-8-21-18)26-11-15(17-7-9-22-24-17)19(25-26)14-4-2-3-5-16(14)20/h2-12,27H,1H3,(H,21,23)(H,22,24).
What are the key properties of 1-[[4-[3-(2-chlorophenyl)-4-(1H-pyrazol-5-yl)pyrazol-1-yl]-2-pyridinyl]amino]ethanol?
1-[[4-[3-(2-chlorophenyl)-4-(1H-pyrazol-5-yl)pyrazol-1-yl]-2-pyridinyl]amino]ethanol has a molecular weight of 380.84 g/mol, XLogP of 3.73, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[3-(2-chlorophenyl)-4-(1H-pyrazol-5-yl)pyrazol-1-yl]-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 123790132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).