2-(3-cyanophenyl)-3-(1-ethyl-4-methylpyrazol-5-yl)-N-(2-hydroxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

C24H25N7O2 — CID 157038660

IUPAC2-(3-cyanophenyl)-3-(1-ethyl-4-methylpyrazol-5-yl)-N-(2-hydroxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCn1ncc(C)c1-c1c(-c2cccc(C#N)c2)nn2ccc(C(=O)NCC(C)(C)O)nc12
InChIInChI=1S/C24H25N7O2/c1-5-30-21(15(2)13-27-30)19-20(17-8-6-7-16(11-17)12-25)29-31-10-9-18(28-22(19)31)23(32)26-14-24(3,4)33/h6-11,13,33H,5,14H2,1-4H3,(H,26,32)
InChIKeyCLRORSOSYWDINJ-UHFFFAOYSA-N
MW443.51 g/mol
LogP2.96
Rot. Bonds6

About 2-(3-cyanophenyl)-3-(1-ethyl-4-methylpyrazol-5-yl)-N-(2-hydroxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

2-(3-cyanophenyl)-3-(1-ethyl-4-methylpyrazol-5-yl)-N-(2-hydroxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 157038660) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is 2-(3-cyanophenyl)-3-(1-ethyl-4-methylpyrazol-5-yl)-N-(2-hydroxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-cyanophenyl)-3-(1-ethyl-4-methylpyrazol-5-yl)-N-(2-hydroxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID157038660
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC Name2-(3-cyanophenyl)-3-(1-ethyl-4-methylpyrazol-5-yl)-N-(2-hydroxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCn1ncc(C)c1-c1c(-c2cccc(C#N)c2)nn2ccc(C(=O)NCC(C)(C)O)nc12
InChIInChI=1S/C24H25N7O2/c1-5-30-21(15(2)13-27-30)19-20(17-8-6-7-16(11-17)12-25)29-31-10-9-18(28-22(19)31)23(32)26-14-24(3,4)33/h6-11,13,33H,5,14H2,1-4H3,(H,26,32)
InChIKeyCLRORSOSYWDINJ-UHFFFAOYSA-N
XLogP2.96
TPSA121.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2-chloro-6-methyl-4-pyridinyl)-2-(3-cyanophenyl)-N-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 157038445
3-(2-chloro-6-methyl-4-pyridinyl)-2-(3-cyanophenyl)-N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 168819667
3-[3-(2-chloro-6-methyl-4-pyridinyl)-2-(3-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,2-dimethylpropanamide
CID 175885580
3-[3-(2-ethylpyrazol-3-yl)-5-(1-imino-1-oxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]benzonitrile
CID 157038172
2-(3-cyanophenyl)-3-(5-fluoro-2,6-dimethyl-1,2-dihydropyridin-4-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 166829281
3-[5-chloro-3-(2,6-dimethyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-yl]benzonitrile
CID 157038252
1-(2-aminoethyl)-3-[3-(2-chloro-6-methyl-4-pyridinyl)-2-(3-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]urea
CID 157038390
3-bromo-N'-tert-butyl-2-(3-cyanophenyl)pyrazolo[1,5-a]pyrimidine-5-carboximidamide
CID 157038669
3-[3-(2-chloro-6-methyl-4-pyridinyl)-5-[[(2R)-2-hydroxypropyl]amino]pyrazolo[1,5-a]pyrimidin-2-yl]benzonitrile
CID 157038671
[(2-amino-2-methylpropyl)-[[3-(2-chloro-6-methyl-4-pyridinyl)-2-(3-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]carbamoyl]amino] 2,2,2-trifluoroacetate
CID 157038676
2-[3-(2-ethylpyrazol-3-yl)-5-[(2-hydroxy-2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidin-2-yl]benzonitrile
CID 175885601
3-[3-(2-chloro-6-methyl-4-pyridinyl)-5-[(4-hydroxyoxolan-3-yl)amino]pyrazolo[1,5-a]pyrimidin-2-yl]benzonitrile
CID 157038459

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenyl)-3-(1-ethyl-4-methylpyrazol-5-yl)-N-(2-hydroxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-cyanophenyl)-3-(1-ethyl-4-methylpyrazol-5-yl)-N-(2-hydroxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 157038660) is 2-(3-cyanophenyl)-3-(1-ethyl-4-methylpyrazol-5-yl)-N-(2-hydroxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-cyanophenyl)-3-(1-ethyl-4-methylpyrazol-5-yl)-N-(2-hydroxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-cyanophenyl)-3-(1-ethyl-4-methylpyrazol-5-yl)-N-(2-hydroxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is CCn1ncc(C)c1-c1c(-c2cccc(C#N)c2)nn2ccc(C(=O)NCC(C)(C)O)nc12.
What is the InChIKey of 2-(3-cyanophenyl)-3-(1-ethyl-4-methylpyrazol-5-yl)-N-(2-hydroxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is CLRORSOSYWDINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-5-30-21(15(2)13-27-30)19-20(17-8-6-7-16(11-17)12-25)29-31-10-9-18(28-22(19)31)23(32)26-14-24(3,4)33/h6-11,13,33H,5,14H2,1-4H3,(H,26,32).
What are the key properties of 2-(3-cyanophenyl)-3-(1-ethyl-4-methylpyrazol-5-yl)-N-(2-hydroxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
2-(3-cyanophenyl)-3-(1-ethyl-4-methylpyrazol-5-yl)-N-(2-hydroxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenyl)-3-(1-ethyl-4-methylpyrazol-5-yl)-N-(2-hydroxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 157038660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).