N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H21F3N6O — CID 655400

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1c(CNC(=O)c2cnn3c2NC(c2ccccc2)CC3C(F)(F)F)cnn1C
InChIInChI=1S/C20H21F3N6O/c1-12-14(10-25-28(12)2)9-24-19(30)15-11-26-29-17(20(21,22)23)8-16(27-18(15)29)13-6-4-3-5-7-13/h3-7,10-11,16-17,27H,8-9H2,1-2H3,(H,24,30)
InChIKeyFLCAKRDBVIFPKO-UHFFFAOYSA-N
MW418.42 g/mol
LogP3.52
Rot. Bonds4

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 655400) has the molecular formula C20H21F3N6O and a molecular weight of 418.42 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID655400
Molecular FormulaC20H21F3N6O
Molecular Weight418.42 g/mol
Exact Mass418.17
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1c(CNC(=O)c2cnn3c2NC(c2ccccc2)CC3C(F)(F)F)cnn1C
InChIInChI=1S/C20H21F3N6O/c1-12-14(10-25-28(12)2)9-24-19(30)15-11-26-29-17(20(21,22)23)8-16(27-18(15)29)13-6-4-3-5-7-13/h3-7,10-11,16-17,27H,8-9H2,1-2H3,(H,24,30)
InChIKeyFLCAKRDBVIFPKO-UHFFFAOYSA-N
XLogP3.52
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 655400) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1c(CNC(=O)c2cnn3c2NC(c2ccccc2)CC3C(F)(F)F)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FLCAKRDBVIFPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N6O/c1-12-14(10-25-28(12)2)9-24-19(30)15-11-26-29-17(20(21,22)23)8-16(27-18(15)29)13-6-4-3-5-7-13/h3-7,10-11,16-17,27H,8-9H2,1-2H3,(H,24,30).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 418.42 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 655400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).