N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-5-(2-methylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H21F3N6O3 — CID 121383755

IUPACN-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-5-(2-methylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nccn1-c1ccn2ncc(C(=O)NC(c3ccc(OC(F)(F)F)cc3)C(C)(C)O)c2n1
InChIInChI=1S/C22H21F3N6O3/c1-13-26-9-11-30(13)17-8-10-31-19(28-17)16(12-27-31)20(32)29-18(21(2,3)33)14-4-6-15(7-5-14)34-22(23,24)25/h4-12,18,33H,1-3H3,(H,29,32)
InChIKeyNYRVZWILQXAGNX-UHFFFAOYSA-N
MW474.44 g/mol
LogP3.36
Rot. Bonds6

About N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-5-(2-methylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-5-(2-methylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 121383755) has the molecular formula C22H21F3N6O3 and a molecular weight of 474.44 g/mol. Its IUPAC name is N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-5-(2-methylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-5-(2-methylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID121383755
Molecular FormulaC22H21F3N6O3
Molecular Weight474.44 g/mol
Exact Mass474.16
IUPAC NameN-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-5-(2-methylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nccn1-c1ccn2ncc(C(=O)NC(c3ccc(OC(F)(F)F)cc3)C(C)(C)O)c2n1
InChIInChI=1S/C22H21F3N6O3/c1-13-26-9-11-30(13)17-8-10-31-19(28-17)16(12-27-31)20(32)29-18(21(2,3)33)14-4-6-15(7-5-14)34-22(23,24)25/h4-12,18,33H,1-3H3,(H,29,32)
InChIKeyNYRVZWILQXAGNX-UHFFFAOYSA-N
XLogP3.36
TPSA106.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.44
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-(3-chloro-2-oxo-1-pyridinyl)-N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121361628
N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-5-(triazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121361711
N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-5-(tetrazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121361600
N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-6-methyl-5-(triazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121361586
N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-6-methyl-5-(triazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121375360
N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-5-pyrazol-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121361587
N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-5-(4-methylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121361636
5-cyclopropyl-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121361654
6-ethyl-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121361706
N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121361641
5-(dimethylamino)-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121361708
5-(benzimidazol-1-yl)-N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-1-methyl-2H-pyrazine-3-carboxamide
CID 122519180

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-5-(2-methylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-5-(2-methylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 121383755) is N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-5-(2-methylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-5-(2-methylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-5-(2-methylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nccn1-c1ccn2ncc(C(=O)NC(c3ccc(OC(F)(F)F)cc3)C(C)(C)O)c2n1.
What is the InChIKey of N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-5-(2-methylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NYRVZWILQXAGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N6O3/c1-13-26-9-11-30(13)17-8-10-31-19(28-17)16(12-27-31)20(32)29-18(21(2,3)33)14-4-6-15(7-5-14)34-22(23,24)25/h4-12,18,33H,1-3H3,(H,29,32).
What are the key properties of N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-5-(2-methylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-5-(2-methylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 474.44 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-5-(2-methylimidazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 121383755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).