3-cyclopentyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]propanamide

C22H25N5O2 — CID 122310132

IUPAC3-cyclopentyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]propanamide
SMILESCc1nc(Oc2ccc(NC(=O)CCC3CCCC3)cc2)cc(-n2cccn2)n1
InChIInChI=1S/C22H25N5O2/c1-16-24-20(27-14-4-13-23-27)15-22(25-16)29-19-10-8-18(9-11-19)26-21(28)12-7-17-5-2-3-6-17/h4,8-11,13-15,17H,2-3,5-7,12H2,1H3,(H,26,28)
InChIKeyPFXZBNKZHZYILU-UHFFFAOYSA-N
MW391.48 g/mol
LogP4.67
Rot. Bonds7

About 3-cyclopentyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]propanamide

3-cyclopentyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]propanamide (PubChem CID 122310132) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 3-cyclopentyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]propanamide
PubChem CID122310132
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name3-cyclopentyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]propanamide
SMILESCc1nc(Oc2ccc(NC(=O)CCC3CCCC3)cc2)cc(-n2cccn2)n1
InChIInChI=1S/C22H25N5O2/c1-16-24-20(27-14-4-13-23-27)15-22(25-16)29-19-10-8-18(9-11-19)26-21(28)12-7-17-5-2-3-6-17/h4,8-11,13-15,17H,2-3,5-7,12H2,1H3,(H,26,28)
InChIKeyPFXZBNKZHZYILU-UHFFFAOYSA-N
XLogP4.67
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopentyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide
CID 122304794
N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopropanecarboxamide
CID 122310015
2-(4-methylphenoxy)-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122310144
1-(4-ethoxyphenyl)-3-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122310042
1-(3,5-dimethylphenyl)-3-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122310044
4-fluoro-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309974
N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 122310016
4-bromo-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122310307
N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-phenylbutanamide
CID 122310017
N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-(trifluoromethyl)benzamide
CID 122309981
1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 122310300
3,5-dimethyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-1,2-oxazole-4-carboxamide
CID 122310186

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]propanamide (CID 122310132) is 3-cyclopentyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]propanamide is Cc1nc(Oc2ccc(NC(=O)CCC3CCCC3)cc2)cc(-n2cccn2)n1.
What is the InChIKey of 3-cyclopentyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]propanamide?
The InChIKey is PFXZBNKZHZYILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-16-24-20(27-14-4-13-23-27)15-22(25-16)29-19-10-8-18(9-11-19)26-21(28)12-7-17-5-2-3-6-17/h4,8-11,13-15,17H,2-3,5-7,12H2,1H3,(H,26,28).
What are the key properties of 3-cyclopentyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]propanamide?
3-cyclopentyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]propanamide has a molecular weight of 391.48 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]propanamide is sourced from PubChem (CID 122310132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).