[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]phenyl]-(4-propylpiperazin-1-yl)methanone

C24H28N4O2 — CID 46092149

IUPAC[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]phenyl]-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2ccc(-c3cc(-c4cccc(OC)c4)n[nH]3)cc2)CC1
InChIInChI=1S/C24H28N4O2/c1-3-11-27-12-14-28(15-13-27)24(29)19-9-7-18(8-10-19)22-17-23(26-25-22)20-5-4-6-21(16-20)30-2/h4-10,16-17H,3,11-15H2,1-2H3,(H,25,26)
InChIKeyDHPJGDACCHVTNM-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.92
Rot. Bonds6

About [4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]phenyl]-(4-propylpiperazin-1-yl)methanone

[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]phenyl]-(4-propylpiperazin-1-yl)methanone (PubChem CID 46092149) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is [4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]phenyl]-(4-propylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]phenyl]-(4-propylpiperazin-1-yl)methanone
PubChem CID46092149
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]phenyl]-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2ccc(-c3cc(-c4cccc(OC)c4)n[nH]3)cc2)CC1
InChIInChI=1S/C24H28N4O2/c1-3-11-27-12-14-28(15-13-27)24(29)19-9-7-18(8-10-19)22-17-23(26-25-22)20-5-4-6-21(16-20)30-2/h4-10,16-17H,3,11-15H2,1-2H3,(H,25,26)
InChIKeyDHPJGDACCHVTNM-UHFFFAOYSA-N
XLogP3.92
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chlorophenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone
CID 20910980
[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(2-pyrazol-1-ylethyl)-1,4-diazepan-1-yl]methanone
CID 71790527
(3-fluorophenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone
CID 46969433
(4-aminopiperidin-1-yl)-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 66485063
[4-(3-aminopropyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 28705903
[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-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
CID 97115765
[4-(4-chlorophenyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 20906504
[4-(furan-2-ylmethyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 19515033
[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]-phenylmethanone
CID 110602055
(4-chlorophenyl)-[4-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone
CID 20910976
[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 20906512

Frequently Asked Questions

What is the IUPAC name of [4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]phenyl]-(4-propylpiperazin-1-yl)methanone?
The IUPAC name of [4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]phenyl]-(4-propylpiperazin-1-yl)methanone (CID 46092149) is [4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]phenyl]-(4-propylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]phenyl]-(4-propylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]phenyl]-(4-propylpiperazin-1-yl)methanone is CCCN1CCN(C(=O)c2ccc(-c3cc(-c4cccc(OC)c4)n[nH]3)cc2)CC1.
What is the InChIKey of [4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]phenyl]-(4-propylpiperazin-1-yl)methanone?
The InChIKey is DHPJGDACCHVTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-3-11-27-12-14-28(15-13-27)24(29)19-9-7-18(8-10-19)22-17-23(26-25-22)20-5-4-6-21(16-20)30-2/h4-10,16-17H,3,11-15H2,1-2H3,(H,25,26).
What are the key properties of [4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]phenyl]-(4-propylpiperazin-1-yl)methanone?
[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]phenyl]-(4-propylpiperazin-1-yl)methanone has a molecular weight of 404.51 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]phenyl]-(4-propylpiperazin-1-yl)methanone is sourced from PubChem (CID 46092149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).