(2-methoxyphenyl)-[4-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone

C20H21N5O2 — CID 53180982

IUPAC(2-methoxyphenyl)-[4-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(c2cc(-c3cccnc3)[nH]n2)CC1
InChIInChI=1S/C20H21N5O2/c1-27-18-7-3-2-6-16(18)20(26)25-11-9-24(10-12-25)19-13-17(22-23-19)15-5-4-8-21-14-15/h2-8,13-14H,9-12H2,1H3,(H,22,23)
InChIKeyQCAJWRQBLKPKEX-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.44
Rot. Bonds4

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

(2-methoxyphenyl)-[4-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone (PubChem CID 53180982) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is (2-methoxyphenyl)-[4-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[4-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
PubChem CID53180982
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name(2-methoxyphenyl)-[4-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(c2cc(-c3cccnc3)[nH]n2)CC1
InChIInChI=1S/C20H21N5O2/c1-27-18-7-3-2-6-16(18)20(26)25-11-9-24(10-12-25)19-13-17(22-23-19)15-5-4-8-21-14-15/h2-8,13-14H,9-12H2,1H3,(H,22,23)
InChIKeyQCAJWRQBLKPKEX-UHFFFAOYSA-N
XLogP2.44
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[4-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[4-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone (CID 53180982) is (2-methoxyphenyl)-[4-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[4-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[4-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone is COc1ccccc1C(=O)N1CCN(c2cc(-c3cccnc3)[nH]n2)CC1.
What is the InChIKey of (2-methoxyphenyl)-[4-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
The InChIKey is QCAJWRQBLKPKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-27-18-7-3-2-6-16(18)20(26)25-11-9-24(10-12-25)19-13-17(22-23-19)15-5-4-8-21-14-15/h2-8,13-14H,9-12H2,1H3,(H,22,23).
What are the key properties of (2-methoxyphenyl)-[4-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
(2-methoxyphenyl)-[4-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone has a molecular weight of 363.42 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[4-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 53180982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).