1-(pyridin-3-ylmethyl)-4-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine

C23H29N5O3 — CID 30723108

IUPAC1-(pyridin-3-ylmethyl)-4-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine
SMILESCOc1cc(-c2[nH]ncc2CN2CCN(Cc3cccnc3)CC2)cc(OC)c1OC
InChIInChI=1S/C23H29N5O3/c1-29-20-11-18(12-21(30-2)23(20)31-3)22-19(14-25-26-22)16-28-9-7-27(8-10-28)15-17-5-4-6-24-13-17/h4-6,11-14H,7-10,15-16H2,1-3H3,(H,25,26)
InChIKeyQPRCGDXLMPIMAH-UHFFFAOYSA-N
MW423.52 g/mol
LogP2.82
Rot. Bonds8

About 1-(pyridin-3-ylmethyl)-4-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine

1-(pyridin-3-ylmethyl)-4-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine (PubChem CID 30723108) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 1-(pyridin-3-ylmethyl)-4-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(pyridin-3-ylmethyl)-4-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine
PubChem CID30723108
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name1-(pyridin-3-ylmethyl)-4-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine
SMILESCOc1cc(-c2[nH]ncc2CN2CCN(Cc3cccnc3)CC2)cc(OC)c1OC
InChIInChI=1S/C23H29N5O3/c1-29-20-11-18(12-21(30-2)23(20)31-3)22-19(14-25-26-22)16-28-9-7-27(8-10-28)15-17-5-4-6-24-13-17/h4-6,11-14H,7-10,15-16H2,1-3H3,(H,25,26)
InChIKeyQPRCGDXLMPIMAH-UHFFFAOYSA-N
XLogP2.82
TPSA75.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2,6-dimethoxyphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 1112890
1-(2,5-dimethoxyphenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazine
CID 51307414
1-(naphthalen-1-ylmethyl)-4-(pyridin-3-ylmethyl)piperazine
CID 770178
2-pyridin-3-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 136797457
(2R)-2-(1-methylimidazol-2-yl)-1-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine
CID 42530358
3-(3,4,5-trimethoxyphenyl)pyridine
CID 141070241
1-[(3-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine;oxalic acid
CID 17367073
(R)-[1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol
CID 25274602
4-pyridin-3-yl-2-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 136816113
[3,4-dimethoxy-5-(5-pyridin-3-yl-1H-pyrazol-4-yl)phenyl]methanamine
CID 39222393
4-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 141185580
N-(3-chloro-4-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108509

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-3-ylmethyl)-4-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine?
The IUPAC name of 1-(pyridin-3-ylmethyl)-4-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine (CID 30723108) is 1-(pyridin-3-ylmethyl)-4-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine.
What is the SMILES notation for 1-(pyridin-3-ylmethyl)-4-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine?
The canonical SMILES for 1-(pyridin-3-ylmethyl)-4-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine is COc1cc(-c2[nH]ncc2CN2CCN(Cc3cccnc3)CC2)cc(OC)c1OC.
What is the InChIKey of 1-(pyridin-3-ylmethyl)-4-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine?
The InChIKey is QPRCGDXLMPIMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-29-20-11-18(12-21(30-2)23(20)31-3)22-19(14-25-26-22)16-28-9-7-27(8-10-28)15-17-5-4-6-24-13-17/h4-6,11-14H,7-10,15-16H2,1-3H3,(H,25,26).
What are the key properties of 1-(pyridin-3-ylmethyl)-4-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine?
1-(pyridin-3-ylmethyl)-4-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine has a molecular weight of 423.52 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-3-ylmethyl)-4-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine is sourced from PubChem (CID 30723108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).