[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C19H20N6O2 — CID 20906512

IUPAC[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCOc1cccc(-c2cc(C(=O)N3CCN(c4ncccn4)CC3)[nH]n2)c1
InChIInChI=1S/C19H20N6O2/c1-27-15-5-2-4-14(12-15)16-13-17(23-22-16)18(26)24-8-10-25(11-9-24)19-20-6-3-7-21-19/h2-7,12-13H,8-11H2,1H3,(H,22,23)
InChIKeyIKVHDVCYNRKTKL-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.84
Rot. Bonds4

About [3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 20906512) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is [3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID20906512
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCOc1cccc(-c2cc(C(=O)N3CCN(c4ncccn4)CC3)[nH]n2)c1
InChIInChI=1S/C19H20N6O2/c1-27-15-5-2-4-14(12-15)16-13-17(23-22-16)18(26)24-8-10-25(11-9-24)19-20-6-3-7-21-19/h2-7,12-13H,8-11H2,1H3,(H,22,23)
InChIKeyIKVHDVCYNRKTKL-UHFFFAOYSA-N
XLogP1.84
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(4-chlorophenyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 20906504
[4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 46856952
(4-chlorophenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone
CID 20910980
(4-aminopiperidin-1-yl)-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 66485063
(3-fluorophenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone
CID 46969433
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 20953309
[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19515025
[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 70749061
[4-(furan-2-ylmethyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 19515033
[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 20865028
[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(2-pyrazol-1-ylethyl)-1,4-diazepan-1-yl]methanone
CID 71790527
ethyl 1-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperidine-4-carboxylate
CID 20918297

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 20906512) is [3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is COc1cccc(-c2cc(C(=O)N3CCN(c4ncccn4)CC3)[nH]n2)c1.
What is the InChIKey of [3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is IKVHDVCYNRKTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-27-15-5-2-4-14(12-15)16-13-17(23-22-16)18(26)24-8-10-25(11-9-24)19-20-6-3-7-21-19/h2-7,12-13H,8-11H2,1H3,(H,22,23).
What are the key properties of [3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 364.41 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 20906512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).