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

C21H15ClN6O2S — CID 19408642

IUPACN-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cnn(COc2cccc(Cl)c2)c1)c1cnn2c(-c3cccs3)ccnc12
InChIInChI=1S/C21H15ClN6O2S/c22-14-3-1-4-16(9-14)30-13-27-12-15(10-24-27)26-21(29)17-11-25-28-18(6-7-23-20(17)28)19-5-2-8-31-19/h1-12H,13H2,(H,26,29)
InChIKeyIAYPXMNFPZPDKD-UHFFFAOYSA-N
MW450.91 g/mol
LogP4.60
Rot. Bonds6

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

N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19408642) has the molecular formula C21H15ClN6O2S and a molecular weight of 450.91 g/mol. Its IUPAC name is N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19408642
Molecular FormulaC21H15ClN6O2S
Molecular Weight450.91 g/mol
Exact Mass450.07
IUPAC NameN-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cnn(COc2cccc(Cl)c2)c1)c1cnn2c(-c3cccs3)ccnc12
InChIInChI=1S/C21H15ClN6O2S/c22-14-3-1-4-16(9-14)30-13-27-12-15(10-24-27)26-21(29)17-11-25-28-18(6-7-23-20(17)28)19-5-2-8-31-19/h1-12H,13H2,(H,26,29)
InChIKeyIAYPXMNFPZPDKD-UHFFFAOYSA-N
XLogP4.60
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.91
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416805
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19403252
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-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-1-ethylpyrazole-4-carboxamide
CID 19281175
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 19323677
N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19408864
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19333033
N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19406547
N-[2-(4-chlorophenyl)sulfanylphenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416640
N-[1-(methoxymethyl)pyrazol-4-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19411087
N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416796

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19408642) is N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cnn(COc2cccc(Cl)c2)c1)c1cnn2c(-c3cccs3)ccnc12.
What is the InChIKey of N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IAYPXMNFPZPDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN6O2S/c22-14-3-1-4-16(9-14)30-13-27-12-15(10-24-27)26-21(29)17-11-25-28-18(6-7-23-20(17)28)19-5-2-8-31-19/h1-12H,13H2,(H,26,29).
What are the key properties of N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 450.91 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19408642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).