[3-[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanol

C19H15ClN4O — CID 59662425

IUPAC[3-[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanol
SMILESOCc1cccc(-c2cnn3ccc(Nc4cccc(Cl)c4)nc23)c1
InChIInChI=1S/C19H15ClN4O/c20-15-5-2-6-16(10-15)22-18-7-8-24-19(23-18)17(11-21-24)14-4-1-3-13(9-14)12-25/h1-11,25H,12H2,(H,22,23)
InChIKeyWXCGQBWDRPGHBJ-UHFFFAOYSA-N
MW350.81 g/mol
LogP4.29
Rot. Bonds4

About [3-[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanol

[3-[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanol (PubChem CID 59662425) has the molecular formula C19H15ClN4O and a molecular weight of 350.81 g/mol. Its IUPAC name is [3-[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanol
PubChem CID59662425
Molecular FormulaC19H15ClN4O
Molecular Weight350.81 g/mol
Exact Mass350.09
IUPAC Name[3-[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanol
SMILESOCc1cccc(-c2cnn3ccc(Nc4cccc(Cl)c4)nc23)c1
InChIInChI=1S/C19H15ClN4O/c20-15-5-2-6-16(10-15)22-18-7-8-24-19(23-18)17(11-21-24)14-4-1-3-13(9-14)12-25/h1-11,25H,12H2,(H,22,23)
InChIKeyWXCGQBWDRPGHBJ-UHFFFAOYSA-N
XLogP4.29
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-[3-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenol
CID 143598112
N-(3-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 59662415
4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol
CID 66598126
N-(3-chloro-4-fluorophenyl)-3-[3-(1,1-difluoroethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 143597976
3-(3-chlorophenyl)-N-[2-(2-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628918
1-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-[(1S)-1-phenylethyl]urea
CID 58628491
N-[3-[5-(2-hydroxyethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide
CID 24992595
3-(3-chlorophenyl)-N-(thian-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine;ethane
CID 144515394
3-(3-chlorophenyl)-N-[3-[4-(2-phenylethyl)piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628721
N-[5-[[3-(3-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]methanesulfonamide
CID 59662357
3-(3-chlorophenyl)-N-(2-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628888
N-(3-chloro-4-fluorophenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 59662579

Frequently Asked Questions

What is the IUPAC name of [3-[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanol?
The IUPAC name of [3-[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanol (CID 59662425) is [3-[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanol.
What is the SMILES notation for [3-[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanol?
The canonical SMILES for [3-[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanol is OCc1cccc(-c2cnn3ccc(Nc4cccc(Cl)c4)nc23)c1.
What is the InChIKey of [3-[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanol?
The InChIKey is WXCGQBWDRPGHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O/c20-15-5-2-6-16(10-15)22-18-7-8-24-19(23-18)17(11-21-24)14-4-1-3-13(9-14)12-25/h1-11,25H,12H2,(H,22,23).
What are the key properties of [3-[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanol?
[3-[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanol has a molecular weight of 350.81 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanol is sourced from PubChem (CID 59662425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).