N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H14FN5OS — CID 166186967

IUPACN-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc(NC(=O)c2cnn3cccnc23)sc1Cc1ccc(F)cc1
InChIInChI=1S/C18H14FN5OS/c1-11-15(9-12-3-5-13(19)6-4-12)26-18(22-11)23-17(25)14-10-21-24-8-2-7-20-16(14)24/h2-8,10H,9H2,1H3,(H,22,23,25)
InChIKeyZYABOTWEWCPTHC-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.48
Rot. Bonds4

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

N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 166186967) has the molecular formula C18H14FN5OS and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID166186967
Molecular FormulaC18H14FN5OS
Molecular Weight367.41 g/mol
Exact Mass367.09
IUPAC NameN-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc(NC(=O)c2cnn3cccnc23)sc1Cc1ccc(F)cc1
InChIInChI=1S/C18H14FN5OS/c1-11-15(9-12-3-5-13(19)6-4-12)26-18(22-11)23-17(25)14-10-21-24-8-2-7-20-16(14)24/h2-8,10H,9H2,1H3,(H,22,23,25)
InChIKeyZYABOTWEWCPTHC-UHFFFAOYSA-N
XLogP3.48
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-bromo-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166195009
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166264216
N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 43836519
4-fluoro-N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 43836518
N-(1,3,4-thiadiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 47021323
N-(2,3,5,6-tetrafluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414444
5,7-dimethyl-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166189227
5-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 82054554
N-ethyl-N'-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanediamide
CID 56786830
N-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414443
N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide
CID 47062848
(4S)-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-oxoimidazolidine-4-carboxamide
CID 97067107

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 166186967) is N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc(NC(=O)c2cnn3cccnc23)sc1Cc1ccc(F)cc1.
What is the InChIKey of N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZYABOTWEWCPTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5OS/c1-11-15(9-12-3-5-13(19)6-4-12)26-18(22-11)23-17(25)14-10-21-24-8-2-7-20-16(14)24/h2-8,10H,9H2,1H3,(H,22,23,25).
What are the key properties of N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 166186967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).