7-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H20FN9O — CID 19416507

IUPAC7-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1cc(-c2ccnc3c(C(=O)Nc4ncn(Cc5ccc(F)cc5)n4)cnn23)c(C)n1
InChIInChI=1S/C22H20FN9O/c1-3-30-12-18(14(2)28-30)19-8-9-24-20-17(10-26-32(19)20)21(33)27-22-25-13-31(29-22)11-15-4-6-16(23)7-5-15/h4-10,12-13H,3,11H2,1-2H3,(H,27,29,33)
InChIKeyRJOQUVPIJAECGC-UHFFFAOYSA-N
MW445.46 g/mol
LogP2.95
Rot. Bonds6

About 7-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19416507) has the molecular formula C22H20FN9O and a molecular weight of 445.46 g/mol. Its IUPAC name is 7-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19416507
Molecular FormulaC22H20FN9O
Molecular Weight445.46 g/mol
Exact Mass445.18
IUPAC Name7-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1cc(-c2ccnc3c(C(=O)Nc4ncn(Cc5ccc(F)cc5)n4)cnn23)c(C)n1
InChIInChI=1S/C22H20FN9O/c1-3-30-12-18(14(2)28-30)19-8-9-24-20-17(10-26-32(19)20)21(33)27-22-25-13-31(29-22)11-15-4-6-16(23)7-5-15/h4-10,12-13H,3,11H2,1-2H3,(H,27,29,33)
InChIKeyRJOQUVPIJAECGC-UHFFFAOYSA-N
XLogP2.95
TPSA107.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.46
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-ethyl-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416589
N-[2-(difluoromethoxy)-4-fluorophenyl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416613
7-(1-ethyl-3-methylpyrazol-4-yl)-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416566
4-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]butanoyl chloride
CID 19414820
7-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-(methoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416584
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414821
7-(1-ethyl-3-methylpyrazol-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414790
7-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416561
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414772
N-[3-(4-chloropyrazol-1-yl)propyl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416544
3-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19416556
7-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414793

Frequently Asked Questions

What is the IUPAC name of 7-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19416507) is 7-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCn1cc(-c2ccnc3c(C(=O)Nc4ncn(Cc5ccc(F)cc5)n4)cnn23)c(C)n1.
What is the InChIKey of 7-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RJOQUVPIJAECGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN9O/c1-3-30-12-18(14(2)28-30)19-8-9-24-20-17(10-26-32(19)20)21(33)27-22-25-13-31(29-22)11-15-4-6-16(23)7-5-15/h4-10,12-13H,3,11H2,1-2H3,(H,27,29,33).
What are the key properties of 7-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 445.46 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19416507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).