1-(4-chlorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclopentane-1-carboxamide

C24H22ClN5O2S — CID 135912432

IUPAC1-(4-chlorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclopentane-1-carboxamide
SMILESCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)C2(c3ccc(Cl)cc3)CCCC2)n1
InChIInChI=1S/C24H22ClN5O2S/c1-15-13-21(31)28-23(26-15)30-20(14-18(29-30)19-5-4-12-33-19)27-22(32)24(10-2-3-11-24)16-6-8-17(25)9-7-16/h4-9,12-14H,2-3,10-11H2,1H3,(H,27,32)(H,26,28,31)
InChIKeyJIROGKPROQQYGE-UHFFFAOYSA-N
MW479.99 g/mol
LogP5.10
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclopentane-1-carboxamide

1-(4-chlorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclopentane-1-carboxamide (PubChem CID 135912432) has the molecular formula C24H22ClN5O2S and a molecular weight of 479.99 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclopentane-1-carboxamide
PubChem CID135912432
Molecular FormulaC24H22ClN5O2S
Molecular Weight479.99 g/mol
Exact Mass479.12
IUPAC Name1-(4-chlorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclopentane-1-carboxamide
SMILESCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)C2(c3ccc(Cl)cc3)CCCC2)n1
InChIInChI=1S/C24H22ClN5O2S/c1-15-13-21(31)28-23(26-15)30-20(14-18(29-30)19-5-4-12-33-19)27-22(32)24(10-2-3-11-24)16-6-8-17(25)9-7-16/h4-9,12-14H,2-3,10-11H2,1H3,(H,27,32)(H,26,28,31)
InChIKeyJIROGKPROQQYGE-UHFFFAOYSA-N
XLogP5.10
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.99
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclopentane-1-carboxamide (CID 135912432) is 1-(4-chlorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclopentane-1-carboxamide is Cc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)C2(c3ccc(Cl)cc3)CCCC2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclopentane-1-carboxamide?
The InChIKey is JIROGKPROQQYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O2S/c1-15-13-21(31)28-23(26-15)30-20(14-18(29-30)19-5-4-12-33-19)27-22(32)24(10-2-3-11-24)16-6-8-17(25)9-7-16/h4-9,12-14H,2-3,10-11H2,1H3,(H,27,32)(H,26,28,31).
What are the key properties of 1-(4-chlorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclopentane-1-carboxamide?
1-(4-chlorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclopentane-1-carboxamide has a molecular weight of 479.99 g/mol, XLogP of 5.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 135912432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).