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

C18H18N6OS — CID 19454409

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1nccc1CN(C)C(=O)c1cnn2c(-c3cccs3)ccnc12
InChIInChI=1S/C18H18N6OS/c1-3-23-13(6-9-20-23)12-22(2)18(25)14-11-21-24-15(7-8-19-17(14)24)16-5-4-10-26-16/h4-11H,3,12H2,1-2H3
InChIKeyXQHCUZWWKFHIQU-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.95
Rot. Bonds5

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

N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19454409) has the molecular formula C18H18N6OS and a molecular weight of 366.45 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19454409
Molecular FormulaC18H18N6OS
Molecular Weight366.45 g/mol
Exact Mass366.13
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1nccc1CN(C)C(=O)c1cnn2c(-c3cccs3)ccnc12
InChIInChI=1S/C18H18N6OS/c1-3-23-13(6-9-20-23)12-22(2)18(25)14-11-21-24-15(7-8-19-17(14)24)16-5-4-10-26-16/h4-11H,3,12H2,1-2H3
InChIKeyXQHCUZWWKFHIQU-UHFFFAOYSA-N
XLogP2.95
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19458330
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19458584
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19441319
N-[(2-ethylpyrazol-3-yl)methyl]-N-methylthiophene-2-carboxamide
CID 35520802
7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 7016450
2-methylsulfonylethyl 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 47079378
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19333033
N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxy-N-methylbenzamide
CID 19454265
N-(3-chloro-2-methylphenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416628
N-(1,3-benzodioxol-5-ylmethyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 39004143
N-[2-(1,3-benzodioxol-5-yl)ethyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 39945191
N-(3-morpholin-4-ylpropyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416688

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19454409) is N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCn1nccc1CN(C)C(=O)c1cnn2c(-c3cccs3)ccnc12.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XQHCUZWWKFHIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6OS/c1-3-23-13(6-9-20-23)12-22(2)18(25)14-11-21-24-15(7-8-19-17(14)24)16-5-4-10-26-16/h4-11H,3,12H2,1-2H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 366.45 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19454409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).