N,5-bis(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H25F3N4O5 — CID 3133801

IUPACN,5-bis(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn3c2NC(c2ccc(OC)c(OC)c2)CC3C(F)(F)F)cc1OC
InChIInChI=1S/C24H25F3N4O5/c1-33-17-7-5-13(9-19(17)35-3)16-11-21(24(25,26)27)31-22(30-16)15(12-28-31)23(32)29-14-6-8-18(34-2)20(10-14)36-4/h5-10,12,16,21,30H,11H2,1-4H3,(H,29,32)
InChIKeyRMFCVLSGSOGMRB-UHFFFAOYSA-N
MW506.48 g/mol
LogP4.83
Rot. Bonds7

About N,5-bis(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

N,5-bis(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 3133801) has the molecular formula C24H25F3N4O5 and a molecular weight of 506.48 g/mol. Its IUPAC name is N,5-bis(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN,5-bis(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID3133801
Molecular FormulaC24H25F3N4O5
Molecular Weight506.48 g/mol
Exact Mass506.18
IUPAC NameN,5-bis(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn3c2NC(c2ccc(OC)c(OC)c2)CC3C(F)(F)F)cc1OC
InChIInChI=1S/C24H25F3N4O5/c1-33-17-7-5-13(9-19(17)35-3)16-11-21(24(25,26)27)31-22(30-16)15(12-28-31)23(32)29-14-6-8-18(34-2)20(10-14)36-4/h5-10,12,16,21,30H,11H2,1-4H3,(H,29,32)
InChIKeyRMFCVLSGSOGMRB-UHFFFAOYSA-N
XLogP4.83
TPSA95.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.48
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,5-bis(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N,5-bis(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 3133801) is N,5-bis(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N,5-bis(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N,5-bis(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(NC(=O)c2cnn3c2NC(c2ccc(OC)c(OC)c2)CC3C(F)(F)F)cc1OC.
What is the InChIKey of N,5-bis(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RMFCVLSGSOGMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O5/c1-33-17-7-5-13(9-19(17)35-3)16-11-21(24(25,26)27)31-22(30-16)15(12-28-31)23(32)29-14-6-8-18(34-2)20(10-14)36-4/h5-10,12,16,21,30H,11H2,1-4H3,(H,29,32).
What are the key properties of N,5-bis(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
N,5-bis(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 506.48 g/mol, XLogP of 4.83, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-bis(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 3133801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).