5-[2-(5-fluoro-2-hydroxyphenyl)ethylamino]-N-(2-hydroxyethyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H20FN5O3 — CID 142800958

IUPAC5-[2-(5-fluoro-2-hydroxyphenyl)ethylamino]-N-(2-hydroxyethyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2ccc(NCCc3cc(F)ccc3O)nc2c1C(=O)NCCO
InChIInChI=1S/C18H20FN5O3/c1-11-16(18(27)21-7-9-25)17-22-15(5-8-24(17)23-11)20-6-4-12-10-13(19)2-3-14(12)26/h2-3,5,8,10,25-26H,4,6-7,9H2,1H3,(H,20,22)(H,21,27)
InChIKeyTYADPFUVTFCVLV-UHFFFAOYSA-N
MW373.39 g/mol
LogP1.26
Rot. Bonds7

About 5-[2-(5-fluoro-2-hydroxyphenyl)ethylamino]-N-(2-hydroxyethyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[2-(5-fluoro-2-hydroxyphenyl)ethylamino]-N-(2-hydroxyethyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 142800958) has the molecular formula C18H20FN5O3 and a molecular weight of 373.39 g/mol. Its IUPAC name is 5-[2-(5-fluoro-2-hydroxyphenyl)ethylamino]-N-(2-hydroxyethyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(5-fluoro-2-hydroxyphenyl)ethylamino]-N-(2-hydroxyethyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID142800958
Molecular FormulaC18H20FN5O3
Molecular Weight373.39 g/mol
Exact Mass373.16
IUPAC Name5-[2-(5-fluoro-2-hydroxyphenyl)ethylamino]-N-(2-hydroxyethyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2ccc(NCCc3cc(F)ccc3O)nc2c1C(=O)NCCO
InChIInChI=1S/C18H20FN5O3/c1-11-16(18(27)21-7-9-25)17-22-15(5-8-24(17)23-11)20-6-4-12-10-13(19)2-3-14(12)26/h2-3,5,8,10,25-26H,4,6-7,9H2,1H3,(H,20,22)(H,21,27)
InChIKeyTYADPFUVTFCVLV-UHFFFAOYSA-N
XLogP1.26
TPSA111.78 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 51.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

5-fluoro-2-hydroxy-N-(2-hydroxyethyl)benzamide
CID 67742481
2-[[(1-ethylpyrazol-3-yl)amino]methyl]-4-fluorophenol
CID 114251895
1-[2-(2,5-difluorophenyl)ethyl]-3-(2-hydroxyethyl)urea
CID 111573173
N-[(2,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 110472944
5-fluoro-N-[2-(2-hydroxyphenyl)ethyl]-2-methyl-1H-indole-3-carboxamide
CID 110614865
3-[(2,5-difluorophenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 110906159
N-[2-(benzenesulfonyl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86839885
2-methyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71934142
N-[2-[(2,6-difluorobenzoyl)amino]ethyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 86942729
5-chloro-1-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)-3-methylpyrazole-4-carboxamide
CID 78839556
1-(3-bromopropyl)-3-[5-[(5-fluoro-2-hydroxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]urea
CID 139375143
N-(3-butoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86822712

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-fluoro-2-hydroxyphenyl)ethylamino]-N-(2-hydroxyethyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[2-(5-fluoro-2-hydroxyphenyl)ethylamino]-N-(2-hydroxyethyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 142800958) is 5-[2-(5-fluoro-2-hydroxyphenyl)ethylamino]-N-(2-hydroxyethyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[2-(5-fluoro-2-hydroxyphenyl)ethylamino]-N-(2-hydroxyethyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[2-(5-fluoro-2-hydroxyphenyl)ethylamino]-N-(2-hydroxyethyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn2ccc(NCCc3cc(F)ccc3O)nc2c1C(=O)NCCO.
What is the InChIKey of 5-[2-(5-fluoro-2-hydroxyphenyl)ethylamino]-N-(2-hydroxyethyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is TYADPFUVTFCVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O3/c1-11-16(18(27)21-7-9-25)17-22-15(5-8-24(17)23-11)20-6-4-12-10-13(19)2-3-14(12)26/h2-3,5,8,10,25-26H,4,6-7,9H2,1H3,(H,20,22)(H,21,27).
What are the key properties of 5-[2-(5-fluoro-2-hydroxyphenyl)ethylamino]-N-(2-hydroxyethyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[2-(5-fluoro-2-hydroxyphenyl)ethylamino]-N-(2-hydroxyethyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 373.39 g/mol, XLogP of 1.26, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-fluoro-2-hydroxyphenyl)ethylamino]-N-(2-hydroxyethyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 142800958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).