N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H15ClN6OS — CID 19333033

IUPACN-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1cc(Cl)c(CNC(=O)c2cnn3c(-c4cccs4)ccnc23)n1
InChIInChI=1S/C17H15ClN6OS/c1-2-23-10-12(18)13(22-23)9-20-17(25)11-8-21-24-14(5-6-19-16(11)24)15-4-3-7-26-15/h3-8,10H,2,9H2,1H3,(H,20,25)
InChIKeyYHTLCJHMDLWZGX-UHFFFAOYSA-N
MW386.87 g/mol
LogP3.26
Rot. Bonds5

About N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19333033) has the molecular formula C17H15ClN6OS and a molecular weight of 386.87 g/mol. Its IUPAC name is N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19333033
Molecular FormulaC17H15ClN6OS
Molecular Weight386.87 g/mol
Exact Mass386.07
IUPAC NameN-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1cc(Cl)c(CNC(=O)c2cnn3c(-c4cccs4)ccnc23)n1
InChIInChI=1S/C17H15ClN6OS/c1-2-23-10-12(18)13(22-23)9-20-17(25)11-8-21-24-14(5-6-19-16(11)24)15-4-3-7-26-15/h3-8,10H,2,9H2,1H3,(H,20,25)
InChIKeyYHTLCJHMDLWZGX-UHFFFAOYSA-N
XLogP3.26
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.87
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19441319
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-ethyl-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416589
7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 7016450
N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19454409
N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19408642
N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19392673
4-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]butanoyl chloride
CID 19414820
N-(3-morpholin-4-ylpropyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416688
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19403252
N-[3-(4-chloropyrazol-1-yl)propyl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416544

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19333033) is N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCn1cc(Cl)c(CNC(=O)c2cnn3c(-c4cccs4)ccnc23)n1.
What is the InChIKey of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YHTLCJHMDLWZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN6OS/c1-2-23-10-12(18)13(22-23)9-20-17(25)11-8-21-24-14(5-6-19-16(11)24)15-4-3-7-26-15/h3-8,10H,2,9H2,1H3,(H,20,25).
What are the key properties of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 386.87 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19333033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).