4-[4-(3-anilino-1H-pyrazol-5-yl)phenyl]benzene-1,3-diol

C21H17N3O2 — CID 135461992

IUPAC4-[4-(3-anilino-1H-pyrazol-5-yl)phenyl]benzene-1,3-diol
SMILESOc1ccc(-c2ccc(-c3cc(Nc4ccccc4)n[nH]3)cc2)c(O)c1
InChIInChI=1S/C21H17N3O2/c25-17-10-11-18(20(26)12-17)14-6-8-15(9-7-14)19-13-21(24-23-19)22-16-4-2-1-3-5-16/h1-13,25-26H,(H2,22,23,24)
InChIKeyKCAUAGZQCXVGSZ-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.90
Rot. Bonds4

About 4-[4-(3-anilino-1H-pyrazol-5-yl)phenyl]benzene-1,3-diol

4-[4-(3-anilino-1H-pyrazol-5-yl)phenyl]benzene-1,3-diol (PubChem CID 135461992) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 4-[4-(3-anilino-1H-pyrazol-5-yl)phenyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[4-(3-anilino-1H-pyrazol-5-yl)phenyl]benzene-1,3-diol
PubChem CID135461992
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name4-[4-(3-anilino-1H-pyrazol-5-yl)phenyl]benzene-1,3-diol
SMILESOc1ccc(-c2ccc(-c3cc(Nc4ccccc4)n[nH]3)cc2)c(O)c1
InChIInChI=1S/C21H17N3O2/c25-17-10-11-18(20(26)12-17)14-6-8-15(9-7-14)19-13-21(24-23-19)22-16-4-2-1-3-5-16/h1-13,25-26H,(H2,22,23,24)
InChIKeyKCAUAGZQCXVGSZ-UHFFFAOYSA-N
XLogP4.90
TPSA81.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4'-[5-[[3-[(Cyclopropylamino)methyl]phenyl]amino]-1h-Pyrazol-3-Yl]-[1,1'-Biphenyl]-2,4-Diol
CID 135451019
4-[4-[3-[4-[(propan-2-ylamino)methyl]anilino]-1H-pyrazol-5-yl]phenyl]benzene-1,3-diol
CID 135431661
4''-(5-{6-[(cyclopropylmethyl-amino)-methyl]-pyridin-3-ylamino}-1H-pyrazol-3-yl)-biphenyl-2,4-diol
CID 135440394
4-[4-[3-[4-(pyrrolidin-1-ylmethyl)anilino]-1H-pyrazol-5-yl]phenyl]benzene-1,3-diol
CID 136034784
4-[4-[3-[[6-[(butan-2-ylamino)methyl]-3-pyridinyl]amino]-1H-pyrazol-5-yl]phenyl]benzene-1,3-diol
CID 136034785
4-[4-[3-[[6-(piperidin-1-ylmethyl)-3-pyridinyl]amino]-1H-pyrazol-5-yl]phenyl]benzene-1,3-diol
CID 136034786
4-[4-[3-[4-[(dimethylamino)methyl]anilino]-1H-pyrazol-5-yl]phenyl]benzene-1,3-diol
CID 136104498
4,4'-{3-[(4-Hydroxyphenyl)amino]-1h-Pyrazole-4,5-Diyl}diphenol
CID 135566832
4,4'-(5-{[(4-Hydroxyphenyl)methyl]amino}-1h-Pyrazole-3,4-Diyl)diphenol
CID 135567151
4-{5-[(4-Hydroxyphenyl)amino]-1h-Pyrazol-3-Yl}phenol
CID 135567152
4-[4-[5-[3-[(Cyclopropylamino)methyl]anilino]-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,5-dienylidene]-3-hydroxy-1-cyclohexa-2,5-dienone
CID 135440386
4-[3-(3-chloroanilino)-5-(4-hydroxyphenyl)-1H-pyrazol-4-yl]phenol
CID 136027088

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-anilino-1H-pyrazol-5-yl)phenyl]benzene-1,3-diol?
The IUPAC name of 4-[4-(3-anilino-1H-pyrazol-5-yl)phenyl]benzene-1,3-diol (CID 135461992) is 4-[4-(3-anilino-1H-pyrazol-5-yl)phenyl]benzene-1,3-diol.
What is the SMILES notation for 4-[4-(3-anilino-1H-pyrazol-5-yl)phenyl]benzene-1,3-diol?
The canonical SMILES for 4-[4-(3-anilino-1H-pyrazol-5-yl)phenyl]benzene-1,3-diol is Oc1ccc(-c2ccc(-c3cc(Nc4ccccc4)n[nH]3)cc2)c(O)c1.
What is the InChIKey of 4-[4-(3-anilino-1H-pyrazol-5-yl)phenyl]benzene-1,3-diol?
The InChIKey is KCAUAGZQCXVGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c25-17-10-11-18(20(26)12-17)14-6-8-15(9-7-14)19-13-21(24-23-19)22-16-4-2-1-3-5-16/h1-13,25-26H,(H2,22,23,24).
What are the key properties of 4-[4-(3-anilino-1H-pyrazol-5-yl)phenyl]benzene-1,3-diol?
4-[4-(3-anilino-1H-pyrazol-5-yl)phenyl]benzene-1,3-diol has a molecular weight of 343.39 g/mol, XLogP of 4.90, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-anilino-1H-pyrazol-5-yl)phenyl]benzene-1,3-diol is sourced from PubChem (CID 135461992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).