N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]cyclopentanecarboxamide

C22H25N5O2 — CID 122311087

IUPACN-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]cyclopentanecarboxamide
SMILESCc1nn(-c2cc(Oc3ccc(NC(=O)C4CCCC4)cc3)ncn2)c(C)c1C
InChIInChI=1S/C22H25N5O2/c1-14-15(2)26-27(16(14)3)20-12-21(24-13-23-20)29-19-10-8-18(9-11-19)25-22(28)17-6-4-5-7-17/h8-13,17H,4-7H2,1-3H3,(H,25,28)
InChIKeyJLXDZPLNEZWUMZ-UHFFFAOYSA-N
MW391.48 g/mol
LogP4.51
Rot. Bonds5

About N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]cyclopentanecarboxamide

N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]cyclopentanecarboxamide (PubChem CID 122311087) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]cyclopentanecarboxamide
PubChem CID122311087
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]cyclopentanecarboxamide
SMILESCc1nn(-c2cc(Oc3ccc(NC(=O)C4CCCC4)cc3)ncn2)c(C)c1C
InChIInChI=1S/C22H25N5O2/c1-14-15(2)26-27(16(14)3)20-12-21(24-13-23-20)29-19-10-8-18(9-11-19)25-22(28)17-6-4-5-7-17/h8-13,17H,4-7H2,1-3H3,(H,25,28)
InChIKeyJLXDZPLNEZWUMZ-UHFFFAOYSA-N
XLogP4.51
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122311091
2,2-diphenyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide
CID 122311140
4-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]thiophene-2-carboxamide
CID 122311312
4-(trifluoromethoxy)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122311318
1-(3-methylsulfanylphenyl)-3-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea
CID 122311234
1-(2,3-dimethoxyphenyl)-3-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea
CID 122311435
2-naphthalen-1-yl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide
CID 122311281
(E)-3-(4-chlorophenyl)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]prop-2-enamide
CID 122311356
N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]ethanesulfonamide
CID 122311212
1-(5-chloro-2-methoxyphenyl)-3-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea
CID 122311158
N-[3-methyl-4-[[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]sulfamoyl]phenyl]acetamide
CID 122311402
N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]butane-1-sulfonamide
CID 122311222

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]cyclopentanecarboxamide?
The IUPAC name of N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]cyclopentanecarboxamide (CID 122311087) is N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]cyclopentanecarboxamide is Cc1nn(-c2cc(Oc3ccc(NC(=O)C4CCCC4)cc3)ncn2)c(C)c1C.
What is the InChIKey of N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]cyclopentanecarboxamide?
The InChIKey is JLXDZPLNEZWUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-14-15(2)26-27(16(14)3)20-12-21(24-13-23-20)29-19-10-8-18(9-11-19)25-22(28)17-6-4-5-7-17/h8-13,17H,4-7H2,1-3H3,(H,25,28).
What are the key properties of N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]cyclopentanecarboxamide?
N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]cyclopentanecarboxamide has a molecular weight of 391.48 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]cyclopentanecarboxamide is sourced from PubChem (CID 122311087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).