N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H20ClFN8O — CID 19414821

IUPACN-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1cc(-c2ccnc3c(C(=O)Nc4ccn(Cc5c(F)cccc5Cl)n4)cnn23)c(C)n1
InChIInChI=1S/C23H20ClFN8O/c1-3-31-12-16(14(2)29-31)20-7-9-26-22-15(11-27-33(20)22)23(34)28-21-8-10-32(30-21)13-17-18(24)5-4-6-19(17)25/h4-12H,3,13H2,1-2H3,(H,28,30,34)
InChIKeyKYLSEEPYQAMUKY-UHFFFAOYSA-N
MW478.92 g/mol
LogP4.21
Rot. Bonds6

About N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19414821) has the molecular formula C23H20ClFN8O and a molecular weight of 478.92 g/mol. Its IUPAC name is N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19414821
Molecular FormulaC23H20ClFN8O
Molecular Weight478.92 g/mol
Exact Mass478.14
IUPAC NameN-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1cc(-c2ccnc3c(C(=O)Nc4ccn(Cc5c(F)cccc5Cl)n4)cnn23)c(C)n1
InChIInChI=1S/C23H20ClFN8O/c1-3-31-12-16(14(2)29-31)20-7-9-26-22-15(11-27-33(20)22)23(34)28-21-8-10-32(30-21)13-17-18(24)5-4-6-19(17)25/h4-12H,3,13H2,1-2H3,(H,28,30,34)
InChIKeyKYLSEEPYQAMUKY-UHFFFAOYSA-N
XLogP4.21
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.92
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

7-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416479
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19407150
7-(4-bromo-1-ethylpyrazol-3-yl)-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468444
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
N-ethyl-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416589
7-(1-ethyl-3-methylpyrazol-4-yl)-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416566
N-[3-(4-chloropyrazol-1-yl)propyl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416544
7-(4-methylphenyl)-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19286955
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-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414793
7-(1-ethyl-3-methylpyrazol-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414790
7-(4-methylphenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19284738

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 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) is N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCn1cc(-c2ccnc3c(C(=O)Nc4ccn(Cc5c(F)cccc5Cl)n4)cnn23)c(C)n1.
What is the InChIKey of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KYLSEEPYQAMUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN8O/c1-3-31-12-16(14(2)29-31)20-7-9-26-22-15(11-27-33(20)22)23(34)28-21-8-10-32(30-21)13-17-18(24)5-4-6-19(17)25/h4-12H,3,13H2,1-2H3,(H,28,30,34).
What are the key properties of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 478.92 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19414821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).