2-(3-methoxyphenyl)-1-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone

C22H27N5O2 — CID 134810019

IUPAC2-(3-methoxyphenyl)-1-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone
SMILESCOc1cccc(CC(=O)N2CCCn3nc(C)c(-c4ccnn4C(C)C)c32)c1
InChIInChI=1S/C22H27N5O2/c1-15(2)27-19(9-10-23-27)21-16(3)24-26-12-6-11-25(22(21)26)20(28)14-17-7-5-8-18(13-17)29-4/h5,7-10,13,15H,6,11-12,14H2,1-4H3
InChIKeyNOUBKIWLJZHRJN-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.62
Rot. Bonds5

About 2-(3-methoxyphenyl)-1-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone

2-(3-methoxyphenyl)-1-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone (PubChem CID 134810019) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone
PubChem CID134810019
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name2-(3-methoxyphenyl)-1-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone
SMILESCOc1cccc(CC(=O)N2CCCn3nc(C)c(-c4ccnn4C(C)C)c32)c1
InChIInChI=1S/C22H27N5O2/c1-15(2)27-19(9-10-23-27)21-16(3)24-26-12-6-11-25(22(21)26)20(28)14-17-7-5-8-18(13-17)29-4/h5,7-10,13,15H,6,11-12,14H2,1-4H3
InChIKeyNOUBKIWLJZHRJN-UHFFFAOYSA-N
XLogP3.62
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[1-(4-Methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]pyrrolidin-2-one
CID 9865886
1-[5-(4-Amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2,3-dihydroindol-1-yl]-2-(3-methoxyphenyl)ethanone
CID 53469825
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide
CID 126740650
N-{1-[1-(2-fluoro-5-methoxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-4-phenylbutanamide
CID 24790783
N-(1-{1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-2-methoxybenzamide
CID 24793126
N-{1-[1-(4-methoxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopentanecarboxamide
CID 24816991
4-methoxy-N-(1-{1-[(2E)-2-methyl-2-buten-1-yl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide
CID 24817414
N-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 24819455
1-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-2-phenylethanone
CID 122195699
2-[5,7-Diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1-pyrrolidin-1-ylethanone
CID 127048802
1-[5-(1-Methylpyrazolo[3,4-d]pyrimidin-3-yl)-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethoxy)phenyl]ethanone
CID 145993423
2-(3,4-dimethoxyphenyl)-1-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone
CID 162646316

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone?
The IUPAC name of 2-(3-methoxyphenyl)-1-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone (CID 134810019) is 2-(3-methoxyphenyl)-1-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone?
The canonical SMILES for 2-(3-methoxyphenyl)-1-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone is COc1cccc(CC(=O)N2CCCn3nc(C)c(-c4ccnn4C(C)C)c32)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone?
The InChIKey is NOUBKIWLJZHRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-15(2)27-19(9-10-23-27)21-16(3)24-26-12-6-11-25(22(21)26)20(28)14-17-7-5-8-18(13-17)29-4/h5,7-10,13,15H,6,11-12,14H2,1-4H3.
What are the key properties of 2-(3-methoxyphenyl)-1-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone?
2-(3-methoxyphenyl)-1-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone has a molecular weight of 393.49 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone is sourced from PubChem (CID 134810019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).