2-(4-chlorophenoxy)-N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-methylpropanamide

C23H24ClN5O3 — CID 135892248

IUPAC2-(4-chlorophenoxy)-N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C23H24ClN5O3/c1-23(2,32-15-10-8-14(24)9-11-15)21(31)26-19-12-18(13-6-7-13)28-29(19)22-25-17-5-3-4-16(17)20(30)27-22/h8-13H,3-7H2,1-2H3,(H,26,31)(H,25,27,30)
InChIKeyIQXBCNWVEFGCRC-UHFFFAOYSA-N
MW453.93 g/mol
LogP3.77
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-methylpropanamide

2-(4-chlorophenoxy)-N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-methylpropanamide (PubChem CID 135892248) has the molecular formula C23H24ClN5O3 and a molecular weight of 453.93 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-methylpropanamide
PubChem CID135892248
Molecular FormulaC23H24ClN5O3
Molecular Weight453.93 g/mol
Exact Mass453.16
IUPAC Name2-(4-chlorophenoxy)-N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C23H24ClN5O3/c1-23(2,32-15-10-8-14(24)9-11-15)21(31)26-19-12-18(13-6-7-13)28-29(19)22-25-17-5-3-4-16(17)20(30)27-22/h8-13H,3-7H2,1-2H3,(H,26,31)(H,25,27,30)
InChIKeyIQXBCNWVEFGCRC-UHFFFAOYSA-N
XLogP3.77
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.93
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2,2-dimethylpropanamide
CID 135892241
N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-ethylbutanamide
CID 135892239
N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-1-benzofuran-2-carboxamide
CID 135892262
N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide
CID 135927395
2-(4-chlorophenyl)-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide
CID 135551909
2-chloro-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide
CID 135551814
N-[3-tert-butyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]cyclobutanecarboxamide
CID 136636935
2-(4-chlorophenoxy)-N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylpropanamide
CID 136606191
N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 135892173
5-chloro-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-2-nitrobenzamide
CID 135551875
N-cyclohexyl-N'-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]oxamide
CID 135954203
2-(4-chlorophenoxy)-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-methylpropanamide
CID 136604924

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-methylpropanamide (CID 135892248) is 2-(4-chlorophenoxy)-N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-methylpropanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[nH]1)CCC2.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-methylpropanamide?
The InChIKey is IQXBCNWVEFGCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O3/c1-23(2,32-15-10-8-14(24)9-11-15)21(31)26-19-12-18(13-6-7-13)28-29(19)22-25-17-5-3-4-16(17)20(30)27-22/h8-13H,3-7H2,1-2H3,(H,26,31)(H,25,27,30).
What are the key properties of 2-(4-chlorophenoxy)-N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-methylpropanamide?
2-(4-chlorophenoxy)-N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-methylpropanamide has a molecular weight of 453.93 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-methylpropanamide is sourced from PubChem (CID 135892248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).