N-(2-cyanophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H11N5OS — CID 19416757

IUPACN-(2-cyanophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1cnn2c(-c3cccs3)ccnc12
InChIInChI=1S/C18H11N5OS/c19-10-12-4-1-2-5-14(12)22-18(24)13-11-21-23-15(7-8-20-17(13)23)16-6-3-9-25-16/h1-9,11H,(H,22,24)
InChIKeyUHHWSJNEFBVDBD-UHFFFAOYSA-N
MW345.39 g/mol
LogP3.58
Rot. Bonds3

About N-(2-cyanophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2-cyanophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19416757) has the molecular formula C18H11N5OS and a molecular weight of 345.39 g/mol. Its IUPAC name is N-(2-cyanophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19416757
Molecular FormulaC18H11N5OS
Molecular Weight345.39 g/mol
Exact Mass345.07
IUPAC NameN-(2-cyanophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1cnn2c(-c3cccs3)ccnc12
InChIInChI=1S/C18H11N5OS/c19-10-12-4-1-2-5-14(12)22-18(24)13-11-21-23-15(7-8-20-17(13)23)16-6-3-9-25-16/h1-9,11H,(H,22,24)
InChIKeyUHHWSJNEFBVDBD-UHFFFAOYSA-N
XLogP3.58
TPSA83.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-nitrophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416752
N-(3-chloro-2-methylphenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416628
N-(2-benzoyl-4-chlorophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416651
N-[2-(4-chlorophenyl)sulfanylphenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416640
7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 7016450
N-(2,6-dibromo-4-nitrophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416648
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19286060
N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416776
N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416796
N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416783
methyl 2-[[3,5-dimethyl-4-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrazol-1-yl]methyl]benzoate
CID 19406852
N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19392673

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19416757) is N-(2-cyanophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is N#Cc1ccccc1NC(=O)c1cnn2c(-c3cccs3)ccnc12.
What is the InChIKey of N-(2-cyanophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UHHWSJNEFBVDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N5OS/c19-10-12-4-1-2-5-14(12)22-18(24)13-11-21-23-15(7-8-20-17(13)23)16-6-3-9-25-16/h1-9,11H,(H,22,24).
What are the key properties of N-(2-cyanophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2-cyanophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 345.39 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19416757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).