[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

C22H20ClN5OS — CID 19323677

IUPAC[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESO=C(c1cnn2c(-c3cccs3)ccnc12)N1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C22H20ClN5OS/c23-17-4-1-3-16(13-17)15-26-8-10-27(11-9-26)22(29)18-14-25-28-19(6-7-24-21(18)28)20-5-2-12-30-20/h1-7,12-14H,8-11,15H2
InChIKeyUFXWXJRMHJBKLY-UHFFFAOYSA-N
MW437.96 g/mol
LogP4.07
Rot. Bonds4

About [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (PubChem CID 19323677) has the molecular formula C22H20ClN5OS and a molecular weight of 437.96 g/mol. Its IUPAC name is [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.

Molecular Properties

Compound Name[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
PubChem CID19323677
Molecular FormulaC22H20ClN5OS
Molecular Weight437.96 g/mol
Exact Mass437.11
IUPAC Name[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESO=C(c1cnn2c(-c3cccs3)ccnc12)N1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C22H20ClN5OS/c23-17-4-1-3-16(13-17)15-26-8-10-27(11-9-26)22(29)18-14-25-28-19(6-7-24-21(18)28)20-5-2-12-30-20/h1-7,12-14H,8-11,15H2
InChIKeyUFXWXJRMHJBKLY-UHFFFAOYSA-N
XLogP4.07
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.96
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 19329668
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19403252
(4-benzylpiperidin-1-yl)-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 39004541
(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 55791893
7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 7016450
N-(3-chloro-2-methylphenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416628
3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 8599611
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(2-iodophenyl)methanone
CID 19323523
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 9183476
N-(2-benzoyl-4-chlorophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416651
(5-bromo-2-fluorophenyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 8642632
[4-(pyridin-3-ylmethyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 134035765

Frequently Asked Questions

What is the IUPAC name of [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The IUPAC name of [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (CID 19323677) is [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.
What is the SMILES notation for [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The canonical SMILES for [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is O=C(c1cnn2c(-c3cccs3)ccnc12)N1CCN(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The InChIKey is UFXWXJRMHJBKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5OS/c23-17-4-1-3-16(13-17)15-26-8-10-27(11-9-26)22(29)18-14-25-28-19(6-7-24-21(18)28)20-5-2-12-30-20/h1-7,12-14H,8-11,15H2.
What are the key properties of [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone has a molecular weight of 437.96 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is sourced from PubChem (CID 19323677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).