N-[(4-fluorophenyl)methyl]-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C19H15FN4OS — CID 53040500

IUPACN-[(4-fluorophenyl)methyl]-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(F)cc2)nc2cc(-c3cccs3)nn12
InChIInChI=1S/C19H15FN4OS/c1-12-9-16(19(25)21-11-13-4-6-14(20)7-5-13)22-18-10-15(23-24(12)18)17-3-2-8-26-17/h2-10H,11H2,1H3,(H,21,25)
InChIKeyPVEROCLMAOTFHJ-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.84
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide

N-[(4-fluorophenyl)methyl]-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 53040500) has the molecular formula C19H15FN4OS and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID53040500
Molecular FormulaC19H15FN4OS
Molecular Weight366.42 g/mol
Exact Mass366.10
IUPAC NameN-[(4-fluorophenyl)methyl]-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(F)cc2)nc2cc(-c3cccs3)nn12
InChIInChI=1S/C19H15FN4OS/c1-12-9-16(19(25)21-11-13-4-6-14(20)7-5-13)22-18-10-15(23-24(12)18)17-3-2-8-26-17/h2-10H,11H2,1H3,(H,21,25)
InChIKeyPVEROCLMAOTFHJ-UHFFFAOYSA-N
XLogP3.84
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040480
N-(3,4-dimethoxyphenyl)-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040477
7-methyl-N-(4-morpholin-4-ylphenyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040519
N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 20886604
N-benzyl-2-tert-butyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 24716800
N-[(2-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 20886591
N-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443309
(3,4-difluorophenyl)methanamine;dimethyl 2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5,7-dicarboxylate
CID 161113232
5-methoxycarbonyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 59461413
N-[(4-methoxyphenyl)methyl]-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3860137
N-(furan-2-ylmethyl)-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 46079602
5-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049255

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 53040500) is N-[(4-fluorophenyl)methyl]-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide is Cc1cc(C(=O)NCc2ccc(F)cc2)nc2cc(-c3cccs3)nn12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is PVEROCLMAOTFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4OS/c1-12-9-16(19(25)21-11-13-4-6-14(20)7-5-13)22-18-10-15(23-24(12)18)17-3-2-8-26-17/h2-10H,11H2,1H3,(H,21,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-[(4-fluorophenyl)methyl]-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 53040500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).