2-(3-methoxyphenyl)-N-[1-(5-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]acetamide

C20H22N6O2 — CID 53189929

IUPAC2-(3-methoxyphenyl)-N-[1-(5-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]acetamide
SMILESCOc1cccc(CC(=O)Nc2cnn(-c3ncncc3N3CCCC3)c2)c1
InChIInChI=1S/C20H22N6O2/c1-28-17-6-4-5-15(9-17)10-19(27)24-16-11-23-26(13-16)20-18(12-21-14-22-20)25-7-2-3-8-25/h4-6,9,11-14H,2-3,7-8,10H2,1H3,(H,24,27)
InChIKeyUKSIAHUPGQPQAX-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.45
Rot. Bonds6

About 2-(3-methoxyphenyl)-N-[1-(5-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]acetamide

2-(3-methoxyphenyl)-N-[1-(5-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]acetamide (PubChem CID 53189929) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[1-(5-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[1-(5-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]acetamide
PubChem CID53189929
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name2-(3-methoxyphenyl)-N-[1-(5-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]acetamide
SMILESCOc1cccc(CC(=O)Nc2cnn(-c3ncncc3N3CCCC3)c2)c1
InChIInChI=1S/C20H22N6O2/c1-28-17-6-4-5-15(9-17)10-19(27)24-16-11-23-26(13-16)20-18(12-21-14-22-20)25-7-2-3-8-25/h4-6,9,11-14H,2-3,7-8,10H2,1H3,(H,24,27)
InChIKeyUKSIAHUPGQPQAX-UHFFFAOYSA-N
XLogP2.45
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[5-(dimethylamino)pyrimidin-4-yl]pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide
CID 53190035
2-(3-methoxyphenyl)-N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]acetamide
CID 53167952
2-(3-methoxyphenyl)-N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]acetamide
CID 53168028
2-(3-methoxyphenyl)-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide
CID 131909721
2-(3-methoxyphenyl)-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]acetamide
CID 50777039
2-(4-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]acetamide
CID 35521443
N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]-3-(3-methoxyphenyl)propanamide
CID 53167940
2-(3-methoxyphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 38528215
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
3-(4-methoxyphenyl)-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]propanamide
CID 53168015
N-(6-amino-3-pyridinyl)-2-(3-methoxyphenyl)acetamide
CID 62899176
2-(3-methoxyphenyl)-N-(4-pyrazol-1-ylphenyl)acetamide
CID 31907046

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[1-(5-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[1-(5-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]acetamide (CID 53189929) is 2-(3-methoxyphenyl)-N-[1-(5-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[1-(5-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[1-(5-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]acetamide is COc1cccc(CC(=O)Nc2cnn(-c3ncncc3N3CCCC3)c2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[1-(5-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]acetamide?
The InChIKey is UKSIAHUPGQPQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-28-17-6-4-5-15(9-17)10-19(27)24-16-11-23-26(13-16)20-18(12-21-14-22-20)25-7-2-3-8-25/h4-6,9,11-14H,2-3,7-8,10H2,1H3,(H,24,27).
What are the key properties of 2-(3-methoxyphenyl)-N-[1-(5-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]acetamide?
2-(3-methoxyphenyl)-N-[1-(5-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]acetamide has a molecular weight of 378.44 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[1-(5-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 53189929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).