N-methyl-7-phenyl-N-(1-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H18N4OS — CID 55789049

IUPACN-methyl-7-phenyl-N-(1-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(c1cccs1)N(C)C(=O)c1cnn2c(-c3ccccc3)ccnc12
InChIInChI=1S/C20H18N4OS/c1-14(18-9-6-12-26-18)23(2)20(25)16-13-22-24-17(10-11-21-19(16)24)15-7-4-3-5-8-15/h3-14H,1-2H3
InChIKeyGJVXGUPSKIAJLO-UHFFFAOYSA-N
MW362.46 g/mol
LogP4.29
Rot. Bonds4

About N-methyl-7-phenyl-N-(1-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-methyl-7-phenyl-N-(1-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 55789049) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is N-methyl-7-phenyl-N-(1-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-7-phenyl-N-(1-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID55789049
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC NameN-methyl-7-phenyl-N-(1-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(c1cccs1)N(C)C(=O)c1cnn2c(-c3ccccc3)ccnc12
InChIInChI=1S/C20H18N4OS/c1-14(18-9-6-12-26-18)23(2)20(25)16-13-22-24-17(10-11-21-19(16)24)15-7-4-3-5-8-15/h3-14H,1-2H3
InChIKeyGJVXGUPSKIAJLO-UHFFFAOYSA-N
XLogP4.29
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-7-phenyl-N-(1-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-methyl-7-phenyl-N-(1-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 55789049) is N-methyl-7-phenyl-N-(1-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-methyl-7-phenyl-N-(1-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-methyl-7-phenyl-N-(1-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(c1cccs1)N(C)C(=O)c1cnn2c(-c3ccccc3)ccnc12.
What is the InChIKey of N-methyl-7-phenyl-N-(1-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GJVXGUPSKIAJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-14(18-9-6-12-26-18)23(2)20(25)16-13-22-24-17(10-11-21-19(16)24)15-7-4-3-5-8-15/h3-14H,1-2H3.
What are the key properties of N-methyl-7-phenyl-N-(1-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-methyl-7-phenyl-N-(1-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-phenyl-N-(1-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 55789049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).