N-[1-(2-hydroxy-2-methylpropyl)-3-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H20F3N7O3 — CID 66851039

IUPACN-[1-(2-hydroxy-2-methylpropyl)-3-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cnc(C(F)(F)F)cc1-c1nn(CC(C)(C)O)cc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C21H20F3N7O3/c1-20(2,33)11-30-10-14(28-19(32)13-8-27-31-6-4-5-25-18(13)31)17(29-30)12-7-16(21(22,23)24)26-9-15(12)34-3/h4-10,33H,11H2,1-3H3,(H,28,32)
InChIKeyIJZCGMKRBKNOGJ-UHFFFAOYSA-N
MW475.43 g/mol
LogP3.04
Rot. Bonds6

About N-[1-(2-hydroxy-2-methylpropyl)-3-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-(2-hydroxy-2-methylpropyl)-3-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66851039) has the molecular formula C21H20F3N7O3 and a molecular weight of 475.43 g/mol. Its IUPAC name is N-[1-(2-hydroxy-2-methylpropyl)-3-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-hydroxy-2-methylpropyl)-3-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66851039
Molecular FormulaC21H20F3N7O3
Molecular Weight475.43 g/mol
Exact Mass475.16
IUPAC NameN-[1-(2-hydroxy-2-methylpropyl)-3-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cnc(C(F)(F)F)cc1-c1nn(CC(C)(C)O)cc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C21H20F3N7O3/c1-20(2,33)11-30-10-14(28-19(32)13-8-27-31-6-4-5-25-18(13)31)17(29-30)12-7-16(21(22,23)24)26-9-15(12)34-3/h4-10,33H,11H2,1-3H3,(H,28,32)
InChIKeyIJZCGMKRBKNOGJ-UHFFFAOYSA-N
XLogP3.04
TPSA119.46 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.43
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[1-(2-hydroxy-2-methylpropyl)-3-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxy-2-methylpropyl)-3-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(2-hydroxy-2-methylpropyl)-3-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66851039) is N-[1-(2-hydroxy-2-methylpropyl)-3-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(2-hydroxy-2-methylpropyl)-3-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(2-hydroxy-2-methylpropyl)-3-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cnc(C(F)(F)F)cc1-c1nn(CC(C)(C)O)cc1NC(=O)c1cnn2cccnc12.
What is the InChIKey of N-[1-(2-hydroxy-2-methylpropyl)-3-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IJZCGMKRBKNOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N7O3/c1-20(2,33)11-30-10-14(28-19(32)13-8-27-31-6-4-5-25-18(13)31)17(29-30)12-7-16(21(22,23)24)26-9-15(12)34-3/h4-10,33H,11H2,1-3H3,(H,28,32).
What are the key properties of N-[1-(2-hydroxy-2-methylpropyl)-3-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1-(2-hydroxy-2-methylpropyl)-3-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 475.43 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxy-2-methylpropyl)-3-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66851039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).